# HG changeset patch
# User galaxyp
# Date 1586620159 14400
# Node ID dcd39bcc7481e8a6a2e47dd43fdc64f0f289f3d4
# Parent  175e062b6a172c40250dad59cbd7b85717cbaaac
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant commit da342a782ccc391b87fb4fead956b7b3cbd21258"

diff -r 175e062b6a17 -r dcd39bcc7481 create_mqpar.py
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/create_mqpar.py	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,53 @@
+"""Create paramter xml file for a specific MaxQuant version from yaml or command line input
+and a template parameter file.
+"""
+
+import argparse
+import os
+import yaml
+
+from mqparam import MQParam
+
+parser = argparse.ArgumentParser()
+
+parser.add_argument('--yaml', '-y', help="""Yaml config file. Only those parameters differing
+from the template need to be specified.""")
+
+parser.add_argument('--exp_design', '-e', help="Experimental design template as it is created by the MaxQuant GUI.")
+
+parser.add_argument('template', help="Template Parameter File.")
+
+parser.add_argument('--mqpar_out', '-o', help="Output file, will be ./mqpar.xml if omitted.")
+
+parser.add_argument('--substitution_rx', '-s', help="""Regular expression for filename substitution.
+Necessary for usage in the Galaxy tool. Can usually be ignored.""")
+
+parser.add_argument('--version', '-v', help="""A version number. Raises exception if it doesn't
+match the MaxQuant version of the template. For usage in the Galaxy tool.""")
+
+# in case numThreads is a environment variable, otherwise it can be specified in the yaml file as well
+parser.add_argument('--num_threads', '-t', help="Number of threads to specify in mqpar.")
+args = parser.parse_args()
+
+# edit file names, working dir is unknown at the time of galaxy tool configfile creation
+if args.yaml:
+    with open(args.yaml) as f:
+        conf_dict = yaml.safe_load(f.read())
+
+        for n, pg in enumerate(conf_dict['paramGroups']):
+            for num, fl in enumerate(pg['files']):
+                if not fl.startswith('/'):
+                    conf_dict['paramGroups'][n]['files'][num] = os.path.join(os.getcwd(), fl)
+    with open('yaml', 'w') as f:
+        yaml.safe_dump(conf_dict, stream=f)
+        args.yaml = 'yaml'
+
+kwargs = dict(yaml=args.yaml)
+if args.substitution_rx:
+    kwargs['substitution_rx'] = args.substitution_rx
+mqparam = MQParam(args.template, args.exp_design, **kwargs)
+if args.version and mqparam.version != args.version:
+    raise Exception('mqpar version is ' + mqparam.version + '. Tool uses version {}.'.format(args.version))
+mqparam.set_simple_param('numThreads', args.num_threads)
+
+mqparam.write(args.mqpar_out if args.mqpar_out else 'mqpar.xml')
diff -r 175e062b6a17 -r dcd39bcc7481 init.py
--- a/init.py	Thu Aug 15 08:09:00 2019 -0400
+++ b/init.py	Sat Apr 11 11:49:19 2020 -0400
@@ -5,9 +5,7 @@
 TODO: Append function: only add modifications that are not
 already present, add modification entries to conda maxquant
 
-Authors: Damian Glaetzer <d.glaetzer@mailbox.org>
-
-Usage: init.py [-a] [-m MODS_FILE] [-e ENZYMES_FILE]
+Usage: init.py [-m MODS_FILE] [-e ENZYMES_FILE]
 FILES are the modifications/enzymes.xml of MaxQuant, located at
 <ANACONDA_DIR>/pkgs/maxquant-<VERSION>/bin/conf/.
 (for conda installations)
@@ -40,19 +38,20 @@
 
 if args.modifications:
     mods_root = ET.parse(args.modifications).getroot()
-
     mods = mods_root.findall('modification')
     standard_mods = []
     label_mods = []
+    iso_labels = []
     for m in mods:
         if (m.findtext('type') == 'Standard' or m.findtext('type') == 'AaSubstitution'):
             standard_mods.append(m.get('title'))
         elif m.findtext('type') == 'Label':
             label_mods.append(m.get('title'))
+        elif m.findtext('type') == 'IsobaricLabel':
+            iso_labels.append(m.get('title'))
 
 if args.enzymes:
     enzymes_root = ET.parse(args.enzymes).getroot()
-
     enzymes = enzymes_root.findall('enzyme')
     enzymes_list = [e.get('title') for e in enzymes]
 
@@ -62,6 +61,8 @@
         build_list(child, 'modification', standard_mods)
     elif child.get('name') == 'label' and args.modifications:
         build_list(child, 'label', label_mods)
+    elif child.get('name') == 'iso_labels' and args.modifications:
+        build_list(child, 'iso_labels', iso_labels)
     elif child.get('name') == 'proteases' and args.enzymes:
         build_list(child, 'proteases', enzymes_list)
 
diff -r 175e062b6a17 -r dcd39bcc7481 macros.xml
--- a/macros.xml	Thu Aug 15 08:09:00 2019 -0400
+++ b/macros.xml	Sat Apr 11 11:49:19 2020 -0400
@@ -1,18 +1,185 @@
 <?xml version="1.0" ?>
 <macros>
-    <token name="@VERSION@">1.6.3.4</token>
+    <token name="@VERSION@">1.6.10.43</token>
     <token name="@SUBSTITUTION_RX@">[^\w\-\s\.]</token>
-    <xml name="output" token_format="tabular" token_label="default description" token_name="default">
-        <data format="@FORMAT@" label="@LABEL@ for ${on_string}" name="@NAME@">
-            <filter>'@NAME@' in output_opts['output']</filter>
-        </data>
+    <token name="@TMT10PLEX@"><![CDATA[- [TMT10plex-Lys126C,TMT10plex-Nter126C,0,0,0,0,True]
+                    - [TMT10plex-Lys127N,TMT10plex-Nter127N,0,0,0,0,True]
+                    - [TMT10plex-Lys127C,TMT10plex-Nter127C,0,0,0,0,True]
+                    - [TMT10plex-Lys128N,TMT10plex-Nter128N,0,0,0,0,True]
+                    - [TMT10plex-Lys128C,TMT10plex-Nter128C,0,0,0,0,True]
+                    - [TMT10plex-Lys129N,TMT10plex-Nter129N,0,0,0,0,True]
+                    - [TMT10plex-Lys129C,TMT10plex-Nter129C,0,0,0,0,True]
+                    - [TMT10plex-Lys130N,TMT10plex-Nter130N,0,0,0,0,True]
+                    - [TMT10plex-Lys130C,TMT10plex-Nter130C,0,0,0,0,True]
+                    - [TMT10plex-Lys131N,TMT10plex-Nter131N,0,0,0,0,True]
+    ]]></token>
+
+    <xml name="requirements">
+        <requirements>
+            <requirement type="package" version="@VERSION@">maxquant</requirement>
+            <requirement type="package" version="3.7">python</requirement>
+            <requirement type="package" version="5.1.2">pyyaml</requirement>
+            <requirement type="package" version="0.92.6">r-ptxqc</requirement>
+            <requirement type="package" version="1.32">tar</requirement>
+        </requirements>
     </xml>
-    <xml name="output_option" token_label="default label" token_name="default">
-        <option value="@NAME@">@LABEL@</option>
+    
+    <xml name="ptxqc">
+        <configfile name="qr_yaml">
+            PTXQC:
+              ReportFilename:
+                extended: yes
+              UseLocalMQPar: yes
+              NameLengthMax_num: 10.0
+              OutputFormats:
+              - plainPDF
+              PlainPDF:
+                AddPageNumbers: 'on'
+            File:
+              Parameters:
+              #if $qc.do_it:
+                enabled: ${qc.parameters}
+              #end if
+              Summary:
+              #if $qc.do_it:
+                enabled: ${qc.summary}
+              #end if
+                IDRate:
+                  Thresh_bad_num: 20.0
+                  Thresh_great_num: 35.0
+              ProteinGroups:
+              #if $qc.do_it:
+                enabled: ${qc.proteingroups}
+              #end if
+                RatioPlot:
+                  LabelIncThresh_num: 4.0
+                IntensityThreshLog2_num: 25.0
+              Evidence:
+              #if $qc.do_it:
+                enabled: ${qc.evidence}
+              #end if
+                ProteinCountThresh_num: 3500.0
+                IntensityThreshLog2_num: 23.0
+                PeptideCountThresh_num: 15000.0
+                SpecialContaminants:
+                  cont_MYCO:
+                  - MYCOPLASMA
+                  - '1'
+                MQpar_MatchingTimeWindow_num: 0.0
+                MatchBetweenRuns_wA: auto
+                MQpar_firstSearchTol_num: 20.0
+                firstSearch_outOfCalWarnSD_num: 2.0
+                MQpar_mainSearchTol_num: 4.5
+              MsMs:
+              #if $qc.do_it:
+                enabled: ${qc.msms}
+              #end if
+              MsMsScans:
+              #if $qc.do_it:
+                enabled: ${qc.msmsscans}
+              #end if
+                IonInjectionThresh_num: 10.0
+            order:
+              qcMetric_PAR: 1.0
+              qcMetric_PG_PCA: 3.0
+              qcMetric_EVD_Top5Cont: 10.0
+              qcMetric_PG_Ratio: 19.0
+              qcMetric_EVD_UserContaminant: 20.0
+              qcMetric_EVD_PeptideInt: 30.0
+              qcMetric_EVD_ReporterInt: 31.0
+              qcMetric_PG_RawInt: 32.0
+              qcMetric_PG_LFQInt: 33.0
+              qcMetric_PG_ReporterInt: 34.0
+              qcMetric_MSMS_MissedCleavages: 40.0
+              qcMetric_EVD_Charge: 100.0
+              qcMetric_PG_Cont: 110.0
+              qcMetric_MSMSScans_TopNoverRT: 120.0
+              qcMetric_EVD_IDoverRT: 150.0
+              qcMetric_EVD_RTPeakWidth: 170.0
+              qcMetric_EVD_MBRAlign: 210.0
+              qcMetric_EVD_MBRIdTransfer: 220.0
+              qcMetric_EVD_MBRaux: 221.0
+              qcMetric_MSMSScans_IonInjTime: 240.0
+              qcMetric_MSMSScans_MSMSIntensity: 245.0
+              qcMetric_EVD_MS2OverSampling: 250.0
+              qcMetric_EVD_PreCal: 260.0
+              qcMetric_EVD_PostCal: 270.0
+              qcMetric_MSMS_MSMSDecal: 280.0
+              qcMetric_SM_MSMSIdRate: 300.0
+              qcMetric_MSMSScans_TopNID: 380.0
+              qcMetric_MSMSScans_DepPep: 383.0
+              qcMetric_EVD_MissingValues: 390.0
+              qcMetric_EVD_PeptideCount: 400.0
+              qcMetric_EVD_ProteinCount: 450.0
+              qcMetric_AverageQualOverall: 9999.0
+        </configfile>
+        <configfile name="qr">
+            library(PTXQC)
+            library(yaml)
+            library(methods)
+            args = commandArgs(trailingOnly=TRUE)
+            yaml_config = yaml.load_file(input = args[1])
+            r = createReport('./combined/txt', yaml_config)
+            cat(paste0("\nReport generated as '", r\$report_file, "'\n\n"))
+        </configfile>
     </xml>
+
     <xml name="mod_option" token_value="default">
         <option value="@VALUE@">@VALUE@</option>
     </xml>
+    <xml name="default_mod_option" token_value="default">
+        <option selected="true" value="@VALUE@">@VALUE@</option>
+    </xml>
+
+    <xml name="ptxqc-opts">
+        <conditional name="qc">
+            <param name="do_it" label="Generate PTXQC (proteomics quality control pipeline) report? (at own risk)"
+                   type="boolean" checked="false"/>
+            <when value="true">
+                <param name="parameters" type="boolean" checked="true"
+	               label="use parameters.txt?" truevalue="yes" falsevalue="no" />
+                <param name="summary" type="boolean" checked="true"
+	               label="use summary.txt?" truevalue="yes" falsevalue="no" />
+                <param name="proteingroups" type="boolean" checked="true"
+	               label="use proteinGroups.txt?" truevalue="yes" falsevalue="no" />
+                <param name="evidence" type="boolean" checked="true"
+	               label="use evidence.txt?" truevalue="yes" falsevalue="no" />
+                <param name="msms" type="boolean" checked="true"
+	               label="use msms.txt?" truevalue="yes" falsevalue="no" />
+                <param name="msmsscans" type="boolean" checked="true"
+	               label="use msmsScans.txt?" truevalue="yes" falsevalue="no" />
+            </when>
+            <when value="false"/>
+        </conditional>
+    </xml>
+    
+    <xml name="outputs">
+        <outputs>
+            <expand macro="output_from_wdir" name="proteinGroups" label="MaxQuant Protein Groups"/>
+            <expand macro="output_from_wdir" name="mqpar" label="mqpar.xml" format="xml" ext="xml"/>
+            <expand macro="output_from_wdir" name="peptides" label="MaxQuant Peptides"/>
+            <expand macro="output_from_wdir" name="evidence" label="MaxQuant Evidence"/>
+            <expand macro="output_from_wdir" name="parameters" label="MaxQuant Tabular Parameters"/>
+            <expand macro="output_from_wdir" name="msms" label="MaxQuant MSMS"/>
+            <expand macro="output_from_wdir" name="mzTab" label="mzTab" ext="mzTab"/>
+            <expand macro="output_from_wdir" name="allPeptides" label="all peptides"/>
+            <expand macro="output_from_wdir" name="libraryMatch" label="library match"/>
+            <expand macro="output_from_wdir" name="matchedFeatures" label="matched features"/>
+            <expand macro="output_from_wdir" name="modificationSpecificPeptides" label="modification specific peptides"/>
+            <expand macro="output_from_wdir" name="ms3Scans" label="ms3 scans"/>
+            <expand macro="output_from_wdir" name="msmsScans" label="msms Scans"/>
+            <expand macro="output_from_wdir" name="mzRange" label="mz range"/>
+            <expand macro="output_from_wdir" name="peptideSection" label="peptide section"/>
+            <expand macro="output_from_wdir" name="summary" label="MaxQuant summary"/>
+            <expand macro="output" name="output_all" format="tar" label="'combined/txt/' directory"/>
+            <expand macro="output" name="log" format="txt" label="log"/>
+            <expand macro="output" name="config" format="txt" label="yaml config file"/>
+            <data format="pdf" label="PTXQC report for ${on_string}" name="ptxqc_report">
+                <filter>qc['do_it'] == True</filter>
+            </data>
+        </outputs>
+    </xml>
+    
     <xml name="modification">
         <expand macro="mod_option" value="Acetyl (K)"/>
         <expand macro="mod_option" value="Acetyl (Protein N-term)"/>
@@ -430,6 +597,7 @@
         <expand macro="mod_option" value="Cysteinyl"/>
         <expand macro="mod_option" value="Cysteinyl - carbamidomethyl"/>
     </xml>
+
     <xml name="label">
         <expand macro="mod_option" value="Arg6"/>
         <expand macro="mod_option" value="Arg10"/>
@@ -466,6 +634,7 @@
         <expand macro="mod_option" value="Leu7"/>
         <expand macro="mod_option" value="Ile7"/>
     </xml>
+
     <xml name="proteases">
         <expand macro="mod_option" value="Trypsin"/>
         <expand macro="mod_option" value="Trypsin/P"/>
@@ -481,5 +650,123 @@
         <expand macro="mod_option" value="Chymotrypsin+"/>
         <expand macro="mod_option" value="Chymotrypsin"/>
     </xml>
+
+    <xml name="iso_labels">
+        <expand macro="mod_option" value="iTRAQ4plex-Nter114"/>
+        <expand macro="mod_option" value="iTRAQ4plex-Nter115"/>
+        <expand macro="mod_option" value="iTRAQ4plex-Nter116"/>
+        <expand macro="mod_option" value="iTRAQ4plex-Nter117"/>
+        <expand macro="mod_option" value="iTRAQ4plex-Lys114"/>
+        <expand macro="mod_option" value="iTRAQ4plex-Lys115"/>
+        <expand macro="mod_option" value="iTRAQ4plex-Lys116"/>
+        <expand macro="mod_option" value="iTRAQ4plex-Lys117"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Nter113"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Nter114"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Nter115"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Nter116"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Nter117"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Nter118"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Nter119"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Nter121"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Lys113"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Lys114"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Lys115"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Lys116"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Lys117"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Lys118"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Lys119"/>
+        <expand macro="mod_option" value="iTRAQ8plex-Lys121"/>
+        <expand macro="mod_option" value="TMT2plex-Nter126"/>
+        <expand macro="mod_option" value="TMT2plex-Nter127"/>
+        <expand macro="mod_option" value="TMT2plex-Lys126"/>
+        <expand macro="mod_option" value="TMT2plex-Lys127"/>
+        <expand macro="mod_option" value="TMT6plex-Nter126"/>
+        <expand macro="mod_option" value="TMT6plex-Nter127"/>
+        <expand macro="mod_option" value="TMT6plex-Nter128"/>
+        <expand macro="mod_option" value="TMT6plex-Nter129"/>
+        <expand macro="mod_option" value="TMT6plex-Nter130"/>
+        <expand macro="mod_option" value="TMT6plex-Nter131"/>
+        <expand macro="mod_option" value="TMT8plex-Nter126C"/>
+        <expand macro="mod_option" value="TMT8plex-Nter127N"/>
+        <expand macro="mod_option" value="TMT8plex-Nter127C"/>
+        <expand macro="mod_option" value="TMT8plex-Nter128C"/>
+        <expand macro="mod_option" value="TMT8plex-Nter129N"/>
+        <expand macro="mod_option" value="TMT8plex-Nter129C"/>
+        <expand macro="mod_option" value="TMT8plex-Nter130C"/>
+        <expand macro="mod_option" value="TMT8plex-Nter131N"/>
+        <expand macro="mod_option" value="TMT10plex-Nter126C"/>
+        <expand macro="mod_option" value="TMT10plex-Nter127N"/>
+        <expand macro="mod_option" value="TMT10plex-Nter127C"/>
+        <expand macro="mod_option" value="TMT10plex-Nter128N"/>
+        <expand macro="mod_option" value="TMT10plex-Nter128C"/>
+        <expand macro="mod_option" value="TMT10plex-Nter129N"/>
+        <expand macro="mod_option" value="TMT10plex-Nter129C"/>
+        <expand macro="mod_option" value="TMT10plex-Nter130N"/>
+        <expand macro="mod_option" value="TMT10plex-Nter130C"/>
+        <expand macro="mod_option" value="TMT10plex-Nter131N"/>
+        <expand macro="mod_option" value="TMT11plex-Nter131C"/>
+        <expand macro="mod_option" value="TMT6plex-Lys126"/>
+        <expand macro="mod_option" value="TMT6plex-Lys127"/>
+        <expand macro="mod_option" value="TMT6plex-Lys128"/>
+        <expand macro="mod_option" value="TMT6plex-Lys129"/>
+        <expand macro="mod_option" value="TMT6plex-Lys130"/>
+        <expand macro="mod_option" value="TMT6plex-Lys131"/>
+        <expand macro="mod_option" value="TMT8plex-Lys126C"/>
+        <expand macro="mod_option" value="TMT8plex-Lys127N"/>
+        <expand macro="mod_option" value="TMT8plex-Lys127C"/>
+        <expand macro="mod_option" value="TMT8plex-Lys128C"/>
+        <expand macro="mod_option" value="TMT8plex-Lys129N"/>
+        <expand macro="mod_option" value="TMT8plex-Lys129C"/>
+        <expand macro="mod_option" value="TMT8plex-Lys130C"/>
+        <expand macro="mod_option" value="TMT8plex-Lys131N"/>
+        <expand macro="mod_option" value="TMT10plex-Lys126C"/>
+        <expand macro="mod_option" value="TMT10plex-Lys127N"/>
+        <expand macro="mod_option" value="TMT10plex-Lys127C"/>
+        <expand macro="mod_option" value="TMT10plex-Lys128N"/>
+        <expand macro="mod_option" value="TMT10plex-Lys128C"/>
+        <expand macro="mod_option" value="TMT10plex-Lys129N"/>
+        <expand macro="mod_option" value="TMT10plex-Lys129C"/>
+        <expand macro="mod_option" value="TMT10plex-Lys130N"/>
+        <expand macro="mod_option" value="TMT10plex-Lys130C"/>
+        <expand macro="mod_option" value="TMT10plex-Lys131N"/>
+        <expand macro="mod_option" value="TMT11plex-Lys131C"/>
+        <expand macro="mod_option" value="iodoTMT6plex-Cys126"/>
+        <expand macro="mod_option" value="iodoTMT6plex-Cys127"/>
+        <expand macro="mod_option" value="iodoTMT6plex-Cys128"/>
+        <expand macro="mod_option" value="iodoTMT6plex-Cys129"/>
+        <expand macro="mod_option" value="iodoTMT6plex-Cys130"/>
+        <expand macro="mod_option" value="iodoTMT6plex-Cys131"/>
+    </xml>
+
+    <xml name="citations">        
+        <citations>
+            <citation type="bibtex">
+                @article{cox2008maxquant,
+                title={MaxQuant enables high peptide identification rates, individualized
+                ppb-range mass accuracies and proteome-wide protein quantification},
+                author={Cox, J{\"u}rgen and Mann, Matthias},
+                journal={Nature biotechnology},
+                volume={26},
+                number={12},
+                pages={1367},
+                year={2008},
+                publisher={Nature Publishing Group}
+                }
+            </citation>
+            <citation type="bibtex">
+                @article{tyanova2016maxquant,
+                title={The MaxQuant computational platform for mass
+                spectrometry-based shotgun proteomics},
+                author={Tyanova, Stefka and Temu, Tikira and Cox, J{\"u}rgen},
+                journal={Nature protocols},
+                volume={11},
+                number={12},
+                pages={2301},
+                year={2016},
+                publisher={Nature Publishing Group}
+                }
+            </citation>
+            <citation type="doi">10.1021/acs.jproteome.5b00780</citation>
+        </citations>
+    </xml>
 </macros>
-
diff -r 175e062b6a17 -r dcd39bcc7481 maxquant.xml
--- a/maxquant.xml	Thu Aug 15 08:09:00 2019 -0400
+++ b/maxquant.xml	Sat Apr 11 11:49:19 2020 -0400
@@ -1,114 +1,219 @@
-<tool id="maxquant" name="MaxQuant" version="@VERSION@+galaxy1">
+<tool id="maxquant" name="MaxQuant" version="@VERSION@">
     <macros>
+        <xml name="output" token_format="tabular" token_label="default description" token_name="default">
+            <data format="@FORMAT@" label="@LABEL@ for ${on_string}" name="@NAME@">
+                <filter>'@NAME@' in output_opts['output']</filter>
+            </data>
+        </xml>
+        <xml name="output_from_wdir" token_ext="txt" token_format="tabular" token_label="default description" token_name="default">
+            <data format="@FORMAT@" from_work_dir="combined/txt/@NAME@.@EXT@" label="@LABEL@ for ${on_string}" name="@NAME@">
+                <filter>'@NAME@' in output_opts['output']</filter>
+            </data>
+        </xml>
         <import>macros.xml</import>
     </macros>
-    <requirements>
-        <requirement type="package" version="@VERSION@">maxquant</requirement>
-        <requirement type="package" version="3.7">python</requirement>
-    </requirements>
+    <expand macro="requirements"/>
     <command detect_errors="exit_code"><![CDATA[
     #import re
-
-    python3 '$__tool_directory__/mqwrapper.py'
+    maxquant -c mqpar.xml 2>/dev/null  ## MQ writes success of creation to stderr
+    #if 'config' in $output_opts.output:
+      &&
+      cp '$mq_conf' '$config'
+    #end if
+    #set infiles = [$name for $pg in $paramGroups for $name in $pg.files]
+    #set names = [re.sub('@SUBSTITUTION_RX@', '_', str($n.element_identifier)) for $n in $infiles]
+    #set names_with_ext = [($name if ($name).lower().endswith(str($input_opts.ftype)) else $name + str($input_opts.ftype)) for $name in $names]
+    #for $target, $link in zip($infiles, $names_with_ext)
+        &&
+        ln -s '$target' '$link'
+    #end for
+    &&
+    python3 '$__tool_directory__/create_mqpar.py'
+    #if $search_opts.template
+        --exp_design='$search_opts.template'
+    #end if
+    --version=@VERSION@ 
     --num_threads=\${GALAXY_SLOTS:-1}
     --substitution_rx='@SUBSTITUTION_RX@'
-    #if $input_opts.infile.select == "mzxml_files"
-        --mzxml_files='$input_opts.infile.mzxml_files'
-        #set names = ','.join([re.sub('@SUBSTITUTION_RX@', '_', str($name.element_identifier)) for $name in $input_opts.infile.mzxml_files])
-    #else
-        --raw_files='$input_opts.infile.raw_files'
-        #set names = ','.join([re.sub('@SUBSTITUTION_RX@', '_', str($name.element_identifier)) for $name in $input_opts.infile.raw_files])
-    #end if
-    --infile_names='$names'
-    --version='@VERSION@'
-    --fasta_files='$input_opts.fasta_files'
-    --identifier_parse_rule='$input_opts.identifier_parse_rule'
-    --description_parse_rule='$input_opts.description_parse_rule'
+    --yaml='$mq_conf'
+    mqpar.xml
 
-    --exp_design='$search_opts.template'
-    --missed_cleavages=$search_opts.missed_cleavages
-    --min_peptide_len=$search_opts.min_peptide_len
-    --max_peptide_mass=$search_opts.max_peptide_mass
-    --min_unique_pep=$search_opts.min_unique_pep
-    $search_opts.calc_peak_properties
-    $search_opts.match_between_runs
-    #if $search_opts.fixed_mods
-        --fixed_mods='$search_opts.fixed_mods'
-    #end if
-    #if $search_opts.var_mods
-        --var_mods='$search_opts.var_mods'
-    #end if
-    #if $search_opts.proteases
-        --proteases='$search_opts.proteases'
-    #end if
-    #if $search_opts.silac.light_mods
-        --light_mods='$search_opts.silac.light_mods'
-    #end if
-    #if $search_opts.silac.medium_mods
-        --medium_mods='$search_opts.silac.medium_mods'
-    #end if
-    #if $search_opts.silac.heavy_mods
-       --heavy_mods='$search_opts.silac.heavy_mods'
-    #end if
-    #if $search_opts.lfq.do_lfq == "--lfq_mode=1"
-        $search_opts.lfq.do_lfq.lfq_mode
-        --lfq_min_ratio_count=$search_opts.lfq.do_lfq.lfq_min_ratio_count
-        --lfq_min_edges_per_node=$search_opts.lfq.do_lfq.lfq_min_edges_per_node
-        --lfq_avg_edges_per_node=$search_opts.lfq.do_lfq.lfq_avg_edges_per_node
-        $search_opts.lfq.do_lfq.lfq_skip_norm
-        $search_opts.lfq.do_lfq.separate_lfq
-        $search_opts.lfq.do_lfq.lfq_stabilize_large_ratios
-        $search_opts.lfq.do_lfq.lfq_require_msms
-        #if $search_opts.lfq.do_lfq.do_ibaq == "--ibaq"
-            $search_opts.lfq.do_lfq.do_ibaq.ibaq
-            $search_opts.lfq.do_lfq.do_ibaq.ibaq_log_fit
-        #end if
-        $search_opts.lfq.do_lfq.advanced_site_intensities
-    #end if
-
-    $output_opts.write_mztab
-    --evidence='$evidence'
-    --msms='$msms'
-    --parameters='$parameters'
-    --peptides='$peptides'
-    --proteinGroups='$proteinGroups'
-    --allPeptides='$allPeptides'
-    --libraryMatch='$libraryMatch'
-    --matchedFeatures='$matchedFeatures'
-    --modificationSpecificPeptides='$modificationSpecificPeptides'
-    --ms3Scans='$ms3Scans'
-    --msmsScans='$msmsScans'
-    --mzRange='$mzRange'
-    --peptideSection='$peptideSection'
-    --summary='$summary'
-    --mzTab='$mzTab'
-    --mqpar_out='$mqpar_out'
-
-    #if 'log' in $output_opts.output
-        > '$log'
-    #end if
-    #if 'output_all' in $output_opts.output
-        && tar -zcf '$output_all' ./combined/txt
+    #if $output_opts.dry_run:
+      &&
+      mkdir -p combined/txt
+      &&
+      mv mqpar.xml combined/txt/mqpar.xml
+    #else:
+      && 
+      maxquant mqpar.xml
+      #if 'log' in $output_opts.output:
+          > '$log'
+      #end if
+      &&
+      mv mqpar.xml combined/txt/mqpar.xml
+      #if 'output_all' in $output_opts.output:
+          &&
+          tar -zcf '$output_all' ./combined/txt
+      #end if
+      
+      #if $qc.do_it:
+        &&
+        Rscript '$qr' '$qr_yaml'
+          #if 'log' in $output_opts.output:
+              >> '$log' 2>&1
+          #end if
+        &&
+        cp ./combined/txt/report_v0.92.6_combined.pdf '$ptxqc_report'
+      #end if
     #end if
     ]]></command>
+
+    <configfiles>
+        <configfile name="mq_conf">
+            #import re
+            fastaFiles: [${input_opts.fasta_files}]
+            parseRules:
+              identifierParseRule: '${input_opts.identifier_parse_rule}'
+              descriptionParseRule: '${input_opts.description_parse_rule}'
+            minUniquePeptides: ${search_opts.min_unique_pep}
+            minPepLen: ${search_opts.min_peptide_len}
+            maxPeptideMass: ${search_opts.max_peptide_mass}
+            calcPeakProperties: ${search_opts.calc_peak_properties}
+            #set writeMzTab = "mzTab" in $output_opts.output
+            writeMzTab: $writeMzTab
+            #if $lfq_opts.do_ibaq.ibaq == 'True':
+            ibaq: ${lfq_opts.do_ibaq.ibaq}
+            ibaqLogFit: ${lfq_opts.do_ibaq.ibaqLogFit}
+            #end if
+            separateLfq: ${lfq_opts.separateLfq}
+            lfqStabilizeLargeRatios: ${lfq_opts.lfqStabilizeLargeRatios}
+            lfqRequireMsms: ${lfq_opts.lfqRequireMsms}
+            advancedSiteIntensities: ${lfq_opts.advancedSiteIntensities}
+            matchBetweenRuns: ${search_opts.match_between_runs}
+            paramGroups:
+            #for $pg in $paramGroups:
+              #set names = [re.sub('@SUBSTITUTION_RX@', '_', str($n.element_identifier)) for $n in $pg.files]
+              #set names_with_ext = [($name if ($name).lower().endswith(str($input_opts.ftype)) else $name + str($input_opts.ftype)) for $name in $names]
+              - files: $names_with_ext
+                maxMissedCleavages: ${pg.maxMissedCleavages}
+                #if $pg.fixedModifications:
+                fixedModifications: [${pg.fixedModifications}]
+                #else:
+                fixedModifications: []
+                #end if
+                #if $pg.variableModifications:
+                variableModifications: [${pg.variableModifications}]
+                #else:
+                variableModifications: []
+                #end if
+                #if $pg.enzymes:
+                enzymes: [${pg.enzymes}]
+                #else:
+                enzymes: []
+                #end if
+                #if $pg.quant_method.select_quant_method == 'silac':
+                labelMods:
+                  #if $pg.quant_method.light_labels:
+                  - [${pg.quant_method.light_labels}]
+                  #else:
+                  - []
+                  #end if
+                  #if $pg.quant_method.medium_labels:
+                  - [${pg.quant_method.medium_labels}]
+                  #else:
+                  - []
+                  #end if
+                  #if $pg.quant_method.heavy_labels:
+                  - [${pg.quant_method.heavy_labels}]
+                  #else:
+                  - []
+                  #end if
+                #end if
+                #if $pg.quant_method.select_quant_method == 'lfq':
+                lfqMode: 1
+                lfqSkipNorm: ${pg.quant_method.lfqSkipNorm}
+                lfqMinEdgesPerNode: ${pg.quant_method.lfqMinEdgesPerNode}
+                lfqAvEdgesPerNode: ${pg.quant_method.lfqAvEdgesPerNode}
+                lfqMinRatioCount: ${pg.quant_method.lfqMinRatioCount}
+                #end if
+                #if $pg.quant_method.select_quant_method == 'reporter_ion_ms2':
+                lcmsRunType: 'Reporter ion MS2'
+                reporterMassTolerance: 0.003
+                reporterPif: 0
+                reporterFraction: 0
+                reporterBasePeakRatio: 0
+                isobaricLabels:
+                  #if $pg.quant_method.iso_labels.labeling == 'custom':
+                    #for $l in $pg.quant_method.iso_labels.iso_label:
+                      - ['$l.internallabel','$l.terminallabel',$l.cm2,$l.cm1,$l.cp1,$l.cp2,$l.tmtlike]
+                    #end for
+                  #end if
+                  #if $pg.quant_method.iso_labels.labeling == 'tmt2plex':
+                    - [TMT2plex-Lys126,TMT2plex-Nter126,0,0,0,0,True]
+                    - [TMT2plex-Lys127,TMT2plex-Nter127,0,0,0,0,True]
+                  #end if
+                  #if $pg.quant_method.iso_labels.labeling == 'tmt6plex':
+                    - [TMT6plex-Lys126,TMT6plex-Nter126,0,0,0,0,True]
+                    - [TMT6plex-Lys127,TMT6plex-Nter127,0,0,0,0,True]
+                    - [TMT6plex-Lys128,TMT6plex-Nter128,0,0,0,0,True]
+                    - [TMT6plex-Lys129,TMT6plex-Nter129,0,0,0,0,True]
+                    - [TMT6plex-Lys130,TMT6plex-Nter130,0,0,0,0,True]
+                    - [TMT6plex-Lys131,TMT6plex-Nter131,0,0,0,0,True]
+                  #end if
+                  #if $pg.quant_method.iso_labels.labeling == 'tmt8plex':
+                    - [TMT8plex-Lys126C,TMT8plex-Nter126C,0,0,0,0,True]
+                    - [TMT8plex-Lys127N,TMT8plex-Nter127N,0,0,0,0,True]
+                    - [TMT8plex-Lys127C,TMT8plex-Nter127C,0,0,0,0,True]
+                    - [TMT8plex-Lys128C,TMT8plex-Nter128C,0,0,0,0,True]
+                    - [TMT8plex-Lys129N,TMT8plex-Nter129N,0,0,0,0,True]
+                    - [TMT8plex-Lys129C,TMT8plex-Nter129C,0,0,0,0,True]
+                    - [TMT8plex-Lys130C,TMT8plex-Nter130C,0,0,0,0,True]
+                    - [TMT8plex-Lys131N,TMT8plex-Nter131N,0,0,0,0,True]
+                  #end if
+                  #if $pg.quant_method.iso_labels.labeling == 'tmt10plex':
+                    @TMT10PLEX@
+                  #end if
+                  #if $pg.quant_method.iso_labels.labeling == 'tmt11plex':
+                    @TMT10PLEX@
+                    - [TMT11plex-Lys131C,TMT11plex-Nter131C,0,0,0,0,True]
+                  #end if
+                  #if $pg.quant_method.iso_labels.labeling == 'itraq4plex':
+                    - [iTRAQ4plex-Lys114,iTRAQ4plex-Nter114,0,0,0,0,False]
+                    - [iTRAQ4plex-Lys115,iTRAQ4plex-Nter115,0,0,0,0,False]
+                    - [iTRAQ4plex-Lys116,iTRAQ4plex-Nter116,0,0,0,0,False]
+                    - [iTRAQ4plex-Lys117,iTRAQ4plex-Nter117,0,0,0,0,False]
+                  #end if
+                  #if $pg.quant_method.iso_labels.labeling == 'itraq8plex':
+                    - [iTRAQ4plex-Lys113,iTRAQ8plex-Nter113,0,0,0,0,False]
+                    - [iTRAQ4plex-Lys114,iTRAQ8plex-Nter114,0,0,0,0,False]
+                    - [iTRAQ4plex-Lys115,iTRAQ8plex-Nter115,0,0,0,0,False]
+                    - [iTRAQ4plex-Lys116,iTRAQ8plex-Nter116,0,0,0,0,False]
+                    - [iTRAQ4plex-Lys117,iTRAQ8plex-Nter117,0,0,0,0,False]
+                    - [iTRAQ4plex-Lys118,iTRAQ8plex-Nter118,0,0,0,0,False]
+                    - [iTRAQ4plex-Lys119,iTRAQ8plex-Nter119,0,0,0,0,False]
+                    - [iTRAQ4plex-Lys121,iTRAQ8plex-Nter121,0,0,0,0,False]
+                  #end if
+                  #if $pg.quant_method.iso_labels.labeling == 'iodotmt6plex':
+                    - [iodoTMT6plex-Cys126,'',0,0,0,0,True]
+                    - [iodoTMT6plex-Cys127,'',0,0,0,0,True]
+                    - [iodoTMT6plex-Cys128,'',0,0,0,0,True]
+                    - [iodoTMT6plex-Cys129,'',0,0,0,0,True]
+                    - [iodoTMT6plex-Cys130,'',0,0,0,0,True]
+                    - [iodoTMT6plex-Cys131,'',0,0,0,0,True]
+                  #end if
+                #end if  
+            #end for
+        </configfile>
+        <expand macro="ptxqc"/>
+    </configfiles>
+
     <inputs>
         <section name="input_opts" title="Input Options" expanded="True">
-            <conditional name="infile">
-                <param name="select" type="select" label="choose the type of your input files">
-                    <option value="raw_files">Thermo.raw</option>
-                    <option value="mzxml_files">mzXML</option>
-                </param>
-                <when value="raw_files"> 
-                    <param multiple="true" name="raw_files" type="data"
-                           format="thermo.raw" label="RAW Files"
-                           help="Specify one or more Thermo RAW files" />
-                </when>
-                <when value="mzxml_files">
-                    <param multiple="true" name="mzxml_files" type="data"
-                           format="mzxml" label="mzXML Files"
-                           help="Specify one or more mzXML files" />
-                </when>
-            </conditional>
+            <param name="ftype" type="select" label="choose the type of your input files">
+                <option value=".thermo.raw">thermo.raw</option>
+                <option value=".mzxml">mzxml</option>
+                <option value=".mzml">mzml</option>
+            </param>
             <param format="fasta" multiple="true" name="fasta_files"
                    type="data" label="FASTA files"
                    help="Specify one or more FASTA databases." />
@@ -135,168 +240,299 @@
             <param format="tabular" name="template" type="data" optional="true"
                    label="Specify an experimental design template (if needed). For detailed
                           instructions see the help text." />
-            <param type="integer" name="missed_cleavages"
-	           label="missed cleavages" value="1"/>
             <param type="integer" name="min_peptide_len"
 	           label="minimum peptide length" value="7"/>
             <param type="integer" name="max_peptide_mass"
 	           label="maximum peptide mass" value="4600"/>
             <param type="integer" name="min_unique_pep"
-	           label="minimum unique peptides" value="1" />
+	           label="minimum unique peptides" value="0" />
             <param name="calc_peak_properties" type="boolean" checked="false"
 	           label="Calculate peak properties?"
-	           truevalue="--calc_peak_properties" falsevalue="" />
+	           truevalue="True" falsevalue="False" />
             <param name="match_between_runs" type="boolean" checked="false"
 	           label="Match between runs?"
-	           truevalue="--match_between_runs" falsevalue="" />
-            <param name="fixed_mods" type="select" label="fixed modifications"
+	           truevalue="True" falsevalue="False" />
+        </section>
+        
+        <repeat name="paramGroups" title="Parameter Group" min="1" default="1">
+            <param type="data" format="thermo.raw,mzXML,mzML" name="files" label="Infiles" multiple="true"
+                   help="Only select infiles matching the filetype specified in the input options."/>
+            <param type="integer" name="maxMissedCleavages"
+	           label="missed cleavages" value="2"/>
+            <param name="fixedModifications" type="select" label="fixed modifications"
 	           multiple="true" help="select zero or more fixed modifications">
 	        <expand macro="modification"/>
+                <expand macro="default_mod_option" value="Carbamidomethyl (C)"/>
+            </param>
+            <param name="variableModifications" type="select" label="variable modifications"
+	           multiple="true" help="select zero or more variable modifications">
+                <expand macro="default_mod_option" value="Oxidation (M)"/>
+                <expand macro="default_mod_option" value="Acetyl (Protein N-term)"/>
+	        <expand macro="modification"/>
             </param>
-            <param name="var_mods" type="select" label="variable modifications"
-	           multiple="true" help="select zero or more variable modifications">
-	        <expand macro="modification"/>
-            </param>
-            <param name="proteases" type="select" label="proteases"
+            <param name="enzymes" type="select" label="proteases"
 	           multiple="true" help="select zero or more proteases">
+                <expand macro="default_mod_option" value="Trypsin/P"/>
 	        <expand macro="proteases"/>
             </param>
-            <section title="label based quantitation" name="silac" expanded="false">
-	        <param name="light_mods" type="select" label="light labels"
-		       multiple="true" help="select zero or more light modifications">
-	            <expand macro="label"/>
-	        </param>
-	        <param name="medium_mods" type="select" label="medium labels"
-		       multiple="true" help="select zero or more medium modifications">
-	            <expand macro="label"/>
-	        </param>
-	        <param name="heavy_mods" type="select" label="heavy labels"
-		       multiple="true" help="select zero or more heavy modifications">
-	            <expand macro="label"/>
-	        </param>
-            </section>
-            <section title="label free quantification" name="lfq" expanded="false">
-	        <conditional name="do_lfq">
-                    <param name="lfq_mode" type="select" label="Perform LFQ?">
-                        <option value="">No</option>
-                        <option value="--lfq_mode=1">Yes</option>
-		    </param>
-                    <when value="--lfq_mode=1">
-		        <param type="integer" name="lfq_min_ratio_count"
-		               label="LFQ minimum ratio count" value="2"/>
-		        <param type="integer" name="lfq_min_edges_per_node"
-			       label="LFQ minimum number of neighbours" value="3"/>
-		        <param type="integer" name="lfq_avg_edges_per_node"
-			       label="LFQ average number of neighbours" value="6"/>
-		        <param name="lfq_skip_norm" type="boolean" checked="false"
-			       label="Skip normalization?"
-			       truevalue="--lfq_skip_norm" falsevalue="" />
-		        <param name="separate_lfq" type="boolean" checked="false"
-			       label="Separate LFQ in parameter Groups?"
-			       truevalue="--separate_lfq" falsevalue="" />
-		        <param name="lfq_stabilize_large_ratios" type="boolean" checked="true"
-			       label="Stabilize large LFQ ratios?"
-			       truevalue="--lfq_stabilize_large_ratios" falsevalue="" />
-		        <param name="lfq_require_msms" type="boolean" checked="true"
-			       label="Require MS/MS for LFQ comparisons?"
-			       truevalue="--lfq_require_msms" falsevalue="" />
-		        <conditional name="do_ibaq">
-                            <param name="ibaq" type="select" label="iBAQ?">
-                                <option value="">No</option>
-                                <option value="--ibaq">Yes</option>
-		            </param>
-                            <when value="--ibaq">
-                                <param name="ibaq_log_fit" type="boolean" checked="true"
-                                       label="Logarithmic fit?"
-                                       truevalue="--ibaq_log_fit" falsevalue="" />
-                            </when>
-                            <when value="">
-                            </when>
-		        </conditional>
-		        <param name="advanced_site_intensities" type="boolean" checked="true"
-			       label="Advanced site intensities?"
-			       truevalue="--advanced_site_intensities" falsevalue="" />
-		    </when>
-		    <when value="">
-	            </when>
-	        </conditional>    
-            </section>
+            <conditional name="quant_method">
+                <param name="select_quant_method" type="select" label="Quantitation Methods"
+                       help="Select a method if needed.">
+                    <option value="">None</option>
+                    <option value="lfq">label free quantification</option>
+                    <option value="silac">label based quantification (SILAC)</option>
+                    <option value="reporter_ion_ms2">reporter ion MS2</option>
+                </param>
+                <when value=""/>
+                <when value="silac">
+	            <param name="light_labels" type="select" label="light labels"
+		           multiple="true" help="select zero or more light modifications">
+	                <expand macro="label"/>
+	            </param>
+	            <param name="medium_labels" type="select" label="medium labels"
+		           multiple="true" help="select zero or more medium modifications">
+	                <expand macro="label"/>
+	            </param>
+	            <param name="heavy_labels" type="select" label="heavy labels"
+		           multiple="true" help="select zero or more heavy modifications">
+	                <expand macro="label"/>
+	            </param>
+                </when>
+                <when value="lfq">
+		    <param type="integer" name="lfqMinRatioCount"
+		           label="LFQ minimum ratio count" value="2"/>
+		    <param type="integer" name="lfqMinEdgesPerNode"
+			   label="LFQ minimum number of neighbours" value="3"/>
+		    <param type="integer" name="lfqAvEdgesPerNode"
+			   label="LFQ average number of neighbours" value="6"/>
+		    <param type="boolean" name="lfqSkipNorm" checked="true"
+			   label="Skip normalization?"
+			   truevalue="True" falsevalue="False" />
+                </when>
+                <when value="reporter_ion_ms2">
+                    <conditional name="iso_labels">
+                        <param name="labeling" type="select" label="isobaric labeling"
+                               help="Select one of the standard labelings (correction factors are zero) or create a custom labeling.">
+                            <option value="custom">custom</option>
+                            <option value="tmt2plex">TMT2plex</option>
+                            <option value="tmt6plex">TMT6plex</option>
+                            <option value="tmt8plex">TMT8plex</option>
+                            <option value="tmt10plex">TMT10plex</option>
+                            <option value="tmt11plex">TMT11plex</option>
+                            <option value="itraq4plex">iTRAQ4plex</option>
+                            <option value="itraq8plex">iTRAQ8plex</option>
+                            <option value="iodotmt6plex">iodoTMT6plex</option>
+                        </param>
+                        <when value="tmt2plex"></when>
+                        <when value="tmt6plex"></when>
+                        <when value="tmt8plex"></when>
+                        <when value="tmt10plex"></when>
+                        <when value="tmt11plex"></when>
+                        <when value="itraq4plex"></when>
+                        <when value="itraq8plex"></when>
+                        <when value="iodotmt6plex"></when>
+                        <when value="custom">
+                            <repeat name="iso_label" title="Isobaric Label" min="1" default="1">
+                                <param name="internallabel" type="select" label="internal label">
+	                            <expand macro="iso_labels"/>
+	                        </param>
+                                <param name="terminallabel" type="select" label="terminal label">
+                                    <option value="">None</option>
+	                            <expand macro="iso_labels"/>
+	                        </param>
+                                <param name="cm2" type="float" label="correction factor -2%" value="0.0"/>
+                                <param name="cm1" type="float" label="correction factor -1%" value="0.0"/>
+                                <param name="cp1" type="float" label="correction factor +1%" value="0.0"/>
+                                <param name="cp2" type="float" label="correction factor +2%" value="0.0"/>
+		                <param type="boolean" name="tmtlike" checked="false"
+			               label="TMT-like"
+			               truevalue="True" falsevalue="False" />
+                            </repeat>
+                        </when>
+                    </conditional>
+                </when>
+            </conditional>
+        </repeat>
+
+        <section title="LFQ Options" name="lfq_opts" expanded="false">
+	    <param name="separateLfq" type="boolean" checked="false"
+		   label="Separate LFQ in parameter Groups?"
+		   truevalue="True" falsevalue="False" />
+	    <param name="lfqStabilizeLargeRatios" type="boolean" checked="true"
+		   label="Stabilize large LFQ ratios?"
+		   truevalue="True" falsevalue="False" />
+	    <param name="lfqRequireMsms" type="boolean" checked="true"
+		   label="Require MS/MS for LFQ comparisons?"
+		   truevalue="True" falsevalue="False" />
+	    <conditional name="do_ibaq">
+                <param name="ibaq" type="select" label="iBAQ?">
+                    <option value="False">No</option>
+                    <option value="True">Yes</option>
+		</param>
+                <when value="True">
+                    <param name="ibaqLogFit" type="boolean" checked="true"
+                           label="Logarithmic fit?"
+                           truevalue="True" falsevalue="False" />
+                </when>
+                <when value="False">
+                </when>
+	    </conditional>
+	    <param name="advancedSiteIntensities" type="boolean" checked="true"
+		   label="Advanced site intensities?"
+		   truevalue="True" falsevalue="False" />
         </section>
 
+        <expand macro="ptxqc-opts"/>
         <section title="Output Options" name="output_opts" expanded="true">
-            <param name="write_mztab" type="boolean" checked="false"
-	           label="Write mztab file?"
-	           truevalue="--write_mztab" falsevalue="" />
+            <param name="dry_run" type="boolean" checked="false"
+	           label="Only create config files? (i.e. for testing)"
+	           truevalue="True" falsevalue="" />            
             <param type="select" name="output" label="Select the desired outputs."
                    multiple="true" optional="false">
-                <expand macro="output_option" name="proteinGroups" label="Protein Groups"/>
-                <expand macro="output_option" name="mqpar_out" label="mqpar.xml"/>
-                <expand macro="output_option" name="peptides" label="Peptides"/>
-                <expand macro="output_option" name="evidence" label="Evidence"/>
-                <expand macro="output_option" name="parameters" label="Tabular Paramters"/>
-                <expand macro="output_option" name="msms" label="MSMS"/>
-                <expand macro="output_option" name="mzTab" label="mzTab"/>
-                <expand macro="output_option" name="allPeptides" label="all peptides"/>
-                <expand macro="output_option" name="libraryMatch" label="library match"/>
-                <expand macro="output_option" name="matchedFeatures" label="matched features"/>
-                <expand macro="output_option" name="modificationSpecificPeptides" label="modification specific peptides"/>
-                <expand macro="output_option" name="ms3Scans" label="ms3 scans"/>
-                <expand macro="output_option" name="msmsScans" label="msms scans"/>
-                <expand macro="output_option" name="mzRange" label="mz range"/>
-                <expand macro="output_option" name="peptideSection" label="peptide section"/>
-                <expand macro="output_option" name="summary" label="summary"/>
-                <expand macro="output_option" name="output_all" label="complete 'combined/txt/' directory (compressed)"/>
-                <expand macro="output_option" name="log" label="MaxQuant log"/>
+                <option value="proteinGroups">Protein Groups</option>
+                <option value="mqpar">mqpar.xml</option>
+                <option value="peptides">Peptides</option>
+                <option value="evidence">Evidence</option>
+                <option value="parameters">Tabular Paramters</option>
+                <option value="msms">MSMS</option>
+                <option value="mzTab">mzTab</option>
+                <option value="allPeptides">all peptides</option>
+                <option value="libraryMatch">library match</option>
+                <option value="matchedFeatures">matched features</option>
+                <option value="modificationSpecificPeptides">modification specific peptides</option>
+                <option value="ms3Scans">ms3 scans</option>
+                <option value="msmsScans">msms scans</option>
+                <option value="mzRange">mz range</option>
+                <option value="peptideSection">peptide section</option>
+                <option value="summary">summary</option>
+                <option value="output_all">complete 'combined/txt/' directory (compressed)</option>
+                <option value="log">MaxQuant and PTXQC log</option>
+                <option value="config">yaml config file</option>
             </param>
         </section>
     </inputs>
-
-    <outputs>
-        <expand macro="output" name="proteinGroups" label="MaxQuant Protein Groups"/>
-        <expand macro="output" name="mqpar_out" label="mqpar.xml" format="xml"/>
-        <expand macro="output" name="peptides" label="MaxQuant Peptides"/>
-        <expand macro="output" name="evidence" label="MaxQuant Evidence"/>
-        <expand macro="output" name="parameters" label="MaxQuant Tabular Parameters"/>
-        <expand macro="output" name="msms" label="MaxQuant MSMS"/>
-        <expand macro="output" name="mzTab" label="mzTab"/>
-        <expand macro="output" name="allPeptides" label="all peptides"/>
-        <expand macro="output" name="libraryMatch" label="library match"/>
-        <expand macro="output" name="matchedFeatures" label="matched features"/>
-        <expand macro="output" name="modificationSpecificPeptides" label="modification specific peptides"/>
-        <expand macro="output" name="ms3Scans" label="ms3 scans"/>
-        <expand macro="output" name="msmsScans" label="msms Scans"/>
-        <expand macro="output" name="mzRange" label="mz range"/>
-        <expand macro="output" name="peptideSection" label="peptide section"/>
-        <expand macro="output" name="summary" label="MaxQuant summary"/>
-        <expand macro="output" format="tar" name="output_all" label="'combined/txt/' directory"/>
-        <expand macro="output" name="log" format="txt" label="log"/>
-    </outputs>
+    
+    <expand macro="outputs"/>
 
     <tests>
-        <test>
-            <param name="select" value="mzxml_files" />
-            <param name="mzxml_files" value="BSA_min_23.mzXML" />
+        <!-- functional test with small mzXML file, no quantitation methods -->
+        <test expect_num_outputs="15">
+            <param name="ftype" value=".mzxml" />
+            <param name="fasta_files" value="bsa.fasta" />
+            <param name="identifier_parse_rule" value="&gt;([^\s]*)" />
+            <param name="description_parse_rule" value="&gt;(.*)" />
+            <repeat name="paramGroups">
+                <param name="files" value="BSA_min_23.mzXML"/>
+                <param name="maxMissedCleavages" value="1"/>
+                <param name="fixedModifications" value="Carbamidomethyl (C)" />
+                <param name="variableModifications" value="Oxidation (M)" />
+                <param name="enzymes" value="Trypsin/P" />
+            </repeat>
+            <param name="output" value="evidence,msms,allPeptides,msmsScans,mzTab,mzRange,parameters,peptides,peptideSection,proteinGroups,summary,modificationSpecificPeptides,output_all,config,mqpar" />
+            <output name="mqpar" file="01/mqpar.xml" lines_diff="6"/>
+            <output name="evidence" file="01/combined/txt/evidence.txt" />
+            <output name="msms" file="01/combined/txt/msms.txt" />
+            <output name="mzTab" file="01/combined/txt/mzTab.mzTab" lines_diff="4"/>
+            <output name="allPeptides" file="01/combined/txt/allPeptides.txt" lines_diff="4"/>
+            <output name="msmsScans" file="01/combined/txt/msmsScans.txt" lines_diff="8"/>
+            <output name="mzRange" file="01/combined/txt/mzRange.txt" />
+            <output name="parameters" file="01/combined/txt/parameters.txt" lines_diff="10"/>
+            <output name="peptides" file="01/combined/txt/peptides.txt" />
+            <output name="peptideSection" file="01/combined/txt/peptideSection.txt" />
+            <output name="proteinGroups" file="01/combined/txt/proteinGroups.txt" />
+            <output name="summary" file="01/combined/txt/summary.txt" />
+            <output name="modificationSpecificPeptides" file="01/combined/txt/modificationSpecificPeptides.txt" />
+            <output name="config" file="01/config.yml" lines_diff="2"/>
+        </test>
+        <!-- reporter ion ms2 + multiple param groups, testing yaml conf file and mqpar.xml only -->
+        <test expect_num_outputs="3">
+            <param name="ftype" value=".mzxml" />
             <param name="fasta_files" value="bsa.fasta" />
             <param name="identifier_parse_rule" value="&gt;([^\s]*)" />
             <param name="description_parse_rule" value="&gt;(.*)" />
-            <param name="min_unique_pep" value="0" />
-            <param name="fixed_mods" value="Carbamidomethyl (C)" />
-            <param name="var_mods" value="Oxidation (M)" />
-            <param name="proteases" value="Trypsin/P" />
-            <param name="write_mztab" value="true" />
-            <param name="output" value="evidence,msms,allPeptides,msmsScans,mzTab,mzRange,parameters,peptides,peptideSection,proteinGroups,summary,modificationSpecificPeptides" />
-            <output name="evidence" file="single/combined/txt/evidence.txt" />
-            <output name="msms" file="single/combined/txt/msms.txt" />
-            <output name="mzTab" file="single/combined/txt/mzTab.mzTab" lines_diff="4"/>
-            <output name="allPeptides" file="single/combined/txt/allPeptides.txt" />
-            <output name="msmsScans" file="single/combined/txt/msmsScans.txt" />
-            <output name="mzRange" file="single/combined/txt/mzRange.txt" />
-            <output name="parameters" file="single/combined/txt/parameters.txt" lines_diff="10"/>
-            <output name="peptides" file="single/combined/txt/peptides.txt" />
-            <output name="peptideSection" file="single/combined/txt/peptideSection.txt" />
-            <output name="proteinGroups" file="single/combined/txt/proteinGroups.txt" />
-            <output name="summary" file="single/combined/txt/summary.txt" />
-            <output name="modificationSpecificPeptides" file="single/combined/txt/modificationSpecificPeptides.txt" />
+            <repeat name="paramGroups">
+                <param name="files" value="BSA_min_23.mzXML"/>
+                <param name="variableModifications" value="Oxidation (M)" />
+                <param name="fixedModifications" value="" />
+                <conditional name="quant_method">
+                    <param name="select_quant_method" value="reporter_ion_ms2" />
+                    <conditional name="iso_labels">
+                        <param name="labeling" value="custom" />
+                        <repeat name="iso_label">
+                            <param name="internallabel" value="TMT2plex-Lys126" />
+                            <param name="terminallabel" value="TMT2plex-Nter126" />
+                            <param name="tmtlike" value="True" />
+                            <param name="cp1" value="6.7" />
+                            <param name="cp2" value="3" />
+                        </repeat>
+                        <repeat name="iso_label">
+                            <param name="internallabel" value="TMT2plex-Lys127" />
+                            <param name="terminallabel" value="TMT2plex-Nter127" />
+                            <param name="tmtlike" value="True" />
+                        </repeat>
+                    </conditional>
+                </conditional>
+            </repeat>
+            <repeat name="paramGroups">
+                <param name="files" value="BSA_min_22"/>
+                <param name="variableModifications" value="" />
+                <param name="fixedModifications" value="" />
+                <param name="enzymes" value="" />
+                <conditional name="quant_method">
+                    <param name="select_quant_method" value="reporter_ion_ms2" />
+                    <conditional name="iso_labels">
+                        <param name="labeling" value="itraq4plex" />
+                    </conditional>
+                </conditional>
+            </repeat>
+            <param name="dry_run" value="True" />
+            <param name="output" value="config,mqpar,mzTab" />
+            <output name="config" file="02/config.yml" lines_diff="2" />
+            <!-- high difference due to unconsistant xml formatting in MQ -->
+            <output name="mqpar" file="02/mqpar.xml" lines_diff="24" />
+        </test>
+        <!-- lfq, testing yaml conf file and mqpar.xml only -->
+        <test expect_num_outputs="2">
+            <param name="ftype" value=".mzxml" />
+            <param name="fasta_files" value="bsa.fasta" />
+            <param name="min_unique_pep" value="1" />
+            <param name="ibaq" value="True" />
+            <param name="ibaqLogFit" value="False" />
+            <repeat name="paramGroups">
+                <param name="files" value="BSA_min_22"/>
+                <param name="maxMissedCleavages" value="1"/>
+                <param name="variableModifications" value="Oxidation (M)" />
+                <conditional name="quant_method">
+                    <param name="select_quant_method" value="lfq" />
+                </conditional>
+            </repeat>
+            <param name="dry_run" value="True" />
+            <param name="output" value="config,mqpar" />
+            <output name="config" file="03/config.yml" lines_diff="2" />
+            <output name="mqpar" file="03/mqpar.xml" lines_diff="10" />
+        </test>
+        <!-- silac + fractions with experimental design template, testing yaml conf file and mqpar.xml only -->
+        <test expect_num_outputs="2">
+            <param name="ftype" value=".mzxml" />
+            <param name="fasta_files" value="bsa.fasta" />
+            <param name="identifier_parse_rule" value="&gt;([^\s]*)" />
+            <param name="description_parse_rule" value="&gt;(.*)" />
+            <param name="template" value="04/exp_design" />
+            <repeat name="paramGroups">
+                <param name="files" value="BSA_min_23.mzXML,BSA_min_22"/>
+                <param name="fixedModifications" value="Carbamidomethyl (C)" />
+                <param name="variableModifications" value="Oxidation (M)" />
+                <param name="enzymes" value="Trypsin/P" />
+                <conditional name="quant_method">
+                    <param name="select_quant_method" value="silac" />
+                    <param name="light_labels" value="Arg6,Lys4" />
+                    <param name="heavy_labels" value="Arg10,DimethLys8" />
+                </conditional>
+            </repeat>
+            <param name="dry_run" value="True" />
+            <param name="output" value="config,mqpar" />
+            <output name="config" file="04/config.yml" lines_diff="2" />
+            <output name="mqpar" file="04/mqpar.xml" lines_diff="12" />
         </test>
     </tests>
 
@@ -307,8 +543,9 @@
 
 **Input files**
 
-- Thermo raw file or mzXML file
-    - The datatype has to be 'thermo.raw' or 'mzXML'. Make sure to specify the correct datatype either during upload to Galaxy or afterwards (edit attributes --> datatypes)
+- Thermo raw files or mzXML files (in parameter group section):
+    - The datatype of all files has to be either 'thermo.raw' or 'mzXML'. Make sure to specify the correct datatype either during upload to Galaxy or afterwards (edit attributes --> datatypes)
+- Fasta files: specify parse rules accordingly, default rules are compatible with uniprot
 - Optional files:
     - Tabular file with experimental design template:
         - Currently four columns are needed: Name, Fraction, Experiment and PTM. The headers must have this exact naming. Name and Experiment are abitrary strings, Fraction is an integer or emtpy, PTM is either 'True', 'False' or empty. Consider you uploaded files named File1.mzxml, ..., File5.mzxml. This is a (syntactically) correct experimental design template:
@@ -340,37 +577,11 @@
     - label based: 
         - for two channels: choose options from light and heavy sections, for three channels choose options from light, medium and heavy sections
     - label-free
+    - reporter ion ms2: either use the pre-defined labelings with correction factors set to 0 or specify a custom labeling
 
 **Output files**
 
-Different output file options are available, most of them are part of the MaxQuant txt directory. 
+Different output file options are available, most of them are part of the MaxQuant txt directory. If ptxqc report ist selected, a quality control report will be created.
     ]]></help>
-    <citations>
-        <citation type="bibtex">
-        @article{cox2008maxquant,
-        title={MaxQuant enables high peptide identification rates, individualized
-        ppb-range mass accuracies and proteome-wide protein quantification},
-        author={Cox, J{\"u}rgen and Mann, Matthias},
-        journal={Nature biotechnology},
-        volume={26},
-        number={12},
-        pages={1367},
-        year={2008},
-        publisher={Nature Publishing Group}
-        }
-        </citation>
-        <citation type="bibtex">
-        @article{tyanova2016maxquant,
-        title={The MaxQuant computational platform for mass
-        spectrometry-based shotgun proteomics},
-        author={Tyanova, Stefka and Temu, Tikira and Cox, J{\"u}rgen},
-        journal={Nature protocols},
-        volume={11},
-        number={12},
-        pages={2301},
-        year={2016},
-        publisher={Nature Publishing Group}
-        }
-        </citation>
-    </citations>
+    <expand macro="citations"/>
 </tool>
diff -r 175e062b6a17 -r dcd39bcc7481 mqparam.py
--- a/mqparam.py	Thu Aug 15 08:09:00 2019 -0400
+++ b/mqparam.py	Sat Apr 11 11:49:19 2020 -0400
@@ -1,113 +1,174 @@
 """
 Create a project-specific MaxQuant parameter file.
-
-TODO: check validity of parsed experimental design template
-      add support for parameter groups
-      add reporter ion MS2
-      add label free quantification
-      don't hardcode parse rules for fasta files
-
-Author: Damian Glaetzer <d.glaetzer@mailbox.org>
 """
 
+import copy
 import ntpath
 import os
 import re
+import yaml
 import xml.etree.ElementTree as ET
 from itertools import zip_longest
 from xml.dom import minidom
 
 
+def et_add_child(el, name, text, attrib=None):
+    "Add a child element to an xml.etree.ElementTree.Element"
+    child = ET.SubElement(el, name, attrib=attrib if attrib else {})
+    child.text = str(text)
+    return child
+
+
+class ParamGroup:
+    """Represents one parameter Group
+    """
+
+    def __init__(self, root):
+        """Initialize with its xml.etree.ElementTree root Element.
+        """
+        self._root = copy.deepcopy(root)
+
+    def set_list_param(self, key, vals):
+        """Set a list parameter.
+        """
+        node = self._root.find(key)
+        if node is None:
+            raise ValueError('Element {} not found in parameter file'
+                             .format(key))
+        node.clear()
+        node.tag = key
+        for e in vals:
+            et_add_child(node, name='string', text=e)
+
+    def set_simple_param(self, key, value):
+        """Set a simple parameter.
+        """
+        node = self._root.find(key)
+        if node is None:
+            raise ValueError('Element {} not found in parameter file'
+                             .format(key))
+        node.text = str(value)
+
+    def set_silac(self, light_labels, medium_labels, heavy_labels):
+        """Set label modifications.
+        """
+        if medium_labels and not (heavy_labels or light_labels):  # medium omly with heavy and light
+            raise Exception("Incorrect SILAC specification. Use medium only together with light and heavy labels.")
+        multiplicity = 3 if medium_labels else 2 if heavy_labels else 1
+        max_label = str(max(len(light_labels) if light_labels else 0,
+                            len(medium_labels) if medium_labels else 0,
+                            len(heavy_labels) if heavy_labels else 0))
+        self._root.find('multiplicity').text = str(multiplicity)
+        self._root.find('maxLabeledAa').text = max_label
+        node = self._root.find('labelMods')
+        node[0].text = ';'.join(light_labels) if light_labels else ''
+        if multiplicity == 3:
+            et_add_child(node, name='string', text=';'.join(medium_labels))
+        if multiplicity > 1:
+            et_add_child(node, name='string',
+                         text=';'.join(heavy_labels) if heavy_labels else '')
+
+    def set_isobaric_label(self, internalLabel, terminalLabel,
+                           cm2, cm1, cp1, cp2, tmtLike):
+        """Add isobaric label info.
+        Args:
+            internalLabel: string
+            terminalLabel: string
+            cm2: (float) correction factor
+            cm1: (float) correction factor
+            cp1: (float) correction factor
+            cp2: (float) correction factor
+            tmtLike: bool or string
+        Returns:
+            None
+        """
+        iso_labels_node = self._root.find('isobaricLabels')
+        label = et_add_child(iso_labels_node, 'IsobaricLabelInfo', '')
+        et_add_child(label, 'internalLabel', internalLabel)
+        et_add_child(label, 'terminalLabel', terminalLabel)
+        for num, factor in (('M2', cm2), ('M1', cm1), ('P1', cp1), ('P2', cp2)):
+            et_add_child(label, 'correctionFactor' + num,
+                         str(float(factor) if factor % 1 else int(factor)))
+        et_add_child(label, 'tmtLike', str(tmtLike))
+
+
 class MQParam:
     """Represents a mqpar.xml and provides methods to modify
     some of its parameters.
     """
 
-    fasta_template = """<FastaFileInfo>
-    <fastaFilePath></fastaFilePath>
-    <identifierParseRule></identifierParseRule>
-    <descriptionParseRule></descriptionParseRule>
-    <taxonomyParseRule></taxonomyParseRule>
-    <variationParseRule></variationParseRule>
-    <modificationParseRule></modificationParseRule>
-    <taxonomyId></taxonomyId>
-    </FastaFileInfo>"""
-
-    def __init__(self, mqpar_out, mqpar_in, exp_design,
-                 substitution_rx=r'[^\s\S]'):  # no sub by default
+    def __init__(self, mqpar_in, exp_design=None, yaml=None, substitution_rx=r'[^\s\S]'):  # no sub by default
         """Initialize MQParam class. mqpar_in can either be a template
         or a already suitable mqpar file.
-        >>> t = MQParam("test", './test-data/template.xml', None)
-        >>> t.root.tag
-        'MaxQuantParams'
-        >>> (t.root.find('maxQuantVersion')).text
-        '1.6.3.4'
+        Args:
+            mqpar_in: a template parameter file
+            exp_design: a experimental design template (see MaxQuant documentation),
+            can be None
+            substitution_rx: a regular expression for replacements in the file names.
+            It is applied before comparing input file names (e.g. from the exp. design)
         """
-
         self.orig_mqpar = mqpar_in
         self.exp_design = exp_design
-        self.mqpar_out = mqpar_out
-        self.root = ET.parse(mqpar_in).getroot()
-        self.version = self.root.find('maxQuantVersion').text
+        self._root = ET.parse(mqpar_in).getroot()
+        self.version = self._root.find('maxQuantVersion').text
         # regex for substitution of certain file name characters
         self.substitution_rx = substitution_rx
-
-    @staticmethod
-    def _add_child(el, name, text, attrib=None):
-        """Add a child element to an element.
+        self.pg_node = copy.deepcopy(self._root.find('parameterGroups')[0])
+        self._paramGroups = []
+        self.fasta_file_node = copy.deepcopy(self._root.find('fastaFiles')[0])
+        if yaml:
+            self._from_yaml(yaml)
 
-        >>> t = MQParam("test", './test-data/template.xml', None)
-        >>> MQParam._add_child(t.root, "test", "test")
-        >>> t.root.find('test').text == "test"
-        True
+    def __getitem__(self, index):
+        """Return paramGroup if indexed with integer, else try to find
+        matching Element in XML root and return its text or None.
         """
-
-        child = ET.SubElement(el, name, attrib=attrib if attrib else {})
-        child.text = str(text)
+        try:
+            return self._paramGroups[index]
+        except TypeError:
+            ret = self._root.find(index)
+            return ret.text if ret is not None else None
 
     @staticmethod
     def _check_validity(design, len_infiles):
-        "Perform some checks on the exp. design template"
+        """Perform some checks on the exp. design template"""
         design_len = len(design['Name'])
+        # 'Name' can be None, we need at least len_infiles valid entries
         match = len(list(filter(lambda x: bool(x), design['Name'])))
         if match < len_infiles:
-            raise Exception("Error parsing experimental design template: " +
-                            "Found only {} matching entries ".format(design_len) +
-                            "for {} input files".format(len_infiles))
+            raise Exception(' '.join(["Error parsing experimental design template:",
+                                      "Found only {} matching entries".format(match),
+                                      "for {} input files".format(len_infiles)]))
         for i in range(0, design_len):
-            msg = "Error in line " + str(i + 2) + " of experimental design: "
-            if not (design['Name'][i] and design['Experiment'][i]):
-                raise Exception(msg + " Name or Experiment is empty.")
+            msg = "(in line " + str(i + 2) + " of experimental design) "
+            if not design['Experiment'][i]:
+                raise ValueError(msg + " Experiment is empty.")
             if design['PTM'][i].lower() not in ('true', 'false'):
-                raise Exception(msg + "Defines invalid PTM value, " +
-                                "should be 'True' or 'False'.")
+                raise ValueError(msg + "Defines invalid PTM value, should be 'True' or 'False'.")
             try:
                 int(design['Fraction'][i])
             except ValueError as e:
-                raise Exception(msg + str(e))
+                raise ValueError(msg + str(e))
 
-    def _make_exp_design(self, infiles):
-        """Create a dict representing an experimental design from
-        an experimental design template and a list of input files.
+    def _make_exp_design(self, groups, files):
+        """Create a dict representing an experimental design from an
+        experimental design template and a list input files.
         If the experimental design template is None, create a default
-        design with one experiment for each input file, no fractions and
-        parameter group 0 for all files.
-        >>> t2 = MQParam("test", './test-data/template.xml', \
-                         './test-data/two/exp_design_template.txt')
-        >>> design = t2._make_exp_design(['./test-data/BSA_min_21.mzXML', \
-                                          './test-data/BSA_min_22.mzXML'])
-        >>> design['Name']
-        ['./test-data/BSA_min_21.mzXML', './test-data/BSA_min_22.mzXML']
-        >>> design['Fraction']
-        ['1', '2']
+        design with one experiment for each input file and no fractions
+        for all files.
+        Args:
+            files: list of input file paths
+            groups: list of parameter group indices
+        Returns:
+            dict: The (complete) experimental design template
         """
-
-        design = {s: [] for s in ("Name", "PTM", "Fraction", "Experiment")}
+        design = {s: [] for s in ("Name", "PTM", "Fraction", "Experiment", "paramGroup")}
         if not self.exp_design:
-            design["Name"] = infiles
-            design["Fraction"] = ('32767',) * len(infiles)
-            design["Experiment"] = [os.path.split(f)[1] for f in infiles]
-            design["PTM"] = ('False',) * len(infiles)
+            design["Name"] = files
+            design["Fraction"] = ('32767',) * len(files)
+            design["Experiment"] = [os.path.split(f)[1] for f in files]
+            design["PTM"] = ('False',) * len(files)
+            design["paramGroup"] = groups
         else:
             with open(self.exp_design) as design_file:
                 index_line = design_file.readline().strip()
@@ -116,25 +177,22 @@
                     if i in design:
                         index.append(i)
                     else:
-                        raise Exception("Invalid column index in experimental"
-                                        + " design template: {}".format(i))
-
+                        raise Exception("Invalid column index in experimental design template: {}".format(i))
                 for line in design_file:
                     row = line.strip().split('\t')
                     for e, i in zip_longest(row, index):
-                        if i == "Fraction" and e == '':
-                            e = 32767
+                        if i == "Fraction" and not e:
+                            e = '32767'
                         elif i == "PTM" and not e:
                             e = 'False'
                         design[i].append(e)
-
-            # map infiles to names in exp. design template
+            # map files to names in exp. design template
             names = []
             names_to_paths = {}
             # strip path and extension
-            for f in infiles:
+            for f in files:
                 b = os.path.basename(f)
-                basename = b[:-6] if b.endswith('.mzXML') else b[:-11]
+                basename = b[:-11] if b.lower().endswith('.thermo.raw') else b.rsplit('.', maxsplit=1)[0]
                 names_to_paths[basename] = f
             for name in design['Name']:
                 # same substitution as in maxquant.xml,
@@ -144,236 +202,157 @@
                              else None)
             # replace orig. file names with matching links to galaxy datasets
             design['Name'] = names
-            MQParam._check_validity(design, len(infiles))
-
+            design['paramGroup'] = groups
+            MQParam._check_validity(design, len(files))
         return design
 
-    def add_infiles(self, infiles, interactive):
+    def add_infiles(self, infiles):
         """Add a list of raw/mzxml files to the mqpar.xml.
         If experimental design template was specified,
         modify other parameters accordingly.
         The files must be specified as absolute paths
         for maxquant to find them.
-        >>> t1 = MQParam("test", './test-data/template.xml', None)
-        >>> t1.add_infiles(('test1', ), True)
-        >>> t1.root.find("filePaths")[0].text
-        'test1'
-        >>> t1.root.find("fractions")[0].text
-        '32767'
-        >>> len(t1.root.find("fractions"))
-        1
-        >>> t2 = MQParam("test", './test-data/template.xml', \
-                         './test-data/exp_design_test.txt')
-        >>> t2.add_infiles(('test-data/QEplus021874.thermo.raw', \
-                             'test-data/QEplus021876.thermo.raw'), True)
-        >>> len(t2.root.find("filePaths"))
-        2
-        >>> t2.root.find("filePaths")[1].text
-        'test-data/QEplus021876.thermo.raw'
-        >>> t2.root.find("experiments")[1].text
-        '2'
-        >>> t2.root.find("fractions")[0].text
-        '3'
+        Also add parameter Groups.
+        Args:
+            infiles: a list of infile lists. first dimension denotes the
+            parameter group.
+        Returns:
+            None
         """
-
-        # Create experimental design for interactive mode.
-        # In non-interactive mode only filepaths are modified, but
-        # their order from the original mqpar must be kept.
-        if interactive:
-            index = range(len(infiles))
-            nodenames = ('filePaths', 'experiments', 'fractions',
-                         'ptms', 'paramGroupIndices', 'referenceChannel')
-            design = self._make_exp_design(infiles)
-        else:
-            index = [-1] * len(infiles)
-            # kind of a BUG: fails if filename starts with '.'
-            infilenames = [os.path.basename(f).split('.')[0] for f in infiles]
-            i = 0
-            for child in self.root.find('filePaths'):
-                # either windows or posix path
-                win = ntpath.basename(child.text)
-                posix = os.path.basename(child.text)
-                basename = win if len(win) < len(posix) else posix
-                basename_with_sub = re.sub(self.substitution_rx, '_',
-                                           basename.split('.')[0])
-                # match infiles to their names in mqpar.xml,
-                # ignore files missing in mqpar.xml
-                if basename_with_sub in infilenames:
-                    index[i] = infilenames.index(basename_with_sub)
-                    i += 1
-                else:
-                    raise ValueError("no matching infile found for "
-                                     + child.text)
-
-            nodenames = ('filePaths', )
-            design = {'Name': infiles}
-
+        groups, files = zip(*[(num, f) for num, l in enumerate(infiles) for f in l])
+        self._paramGroups = [ParamGroup(self.pg_node) for i in range(len(infiles))]
+        nodenames = ('filePaths', 'experiments', 'fractions',
+                     'ptms', 'paramGroupIndices', 'referenceChannel')
+        design = self._make_exp_design(groups, files)
         # Get parent nodes from document
         nodes = dict()
         for nodename in nodenames:
-            node = self.root.find(nodename)
+            node = self._root.find(nodename)
             if node is None:
                 raise ValueError('Element {} not found in parameter file'
                                  .format(nodename))
             nodes[nodename] = node
             node.clear()
             node.tag = nodename
+        # Append sub-elements to nodes (one per file)
+        for i, name in enumerate(design['Name']):
+            if name:
+                et_add_child(nodes['filePaths'], 'string', name)
+                et_add_child(nodes['experiments'], 'string',
+                             design['Experiment'][i])
+                et_add_child(nodes['fractions'], 'short',
+                             design['Fraction'][i])
+                et_add_child(nodes['ptms'], 'boolean',
+                             design['PTM'][i])
+                et_add_child(nodes['paramGroupIndices'], 'int',
+                             design['paramGroup'][i])
+                et_add_child(nodes['referenceChannel'], 'string', '')
 
-        # Append sub-elements to nodes (one per file)
-        for i in index:
-            if i > -1 and design['Name'][i]:
-                MQParam._add_child(nodes['filePaths'], 'string',
-                                   design['Name'][i])
-                if interactive:
-                    MQParam._add_child(nodes['experiments'], 'string',
-                                       design['Experiment'][i])
-                    MQParam._add_child(nodes['fractions'], 'short',
-                                       design['Fraction'][i])
-                    MQParam._add_child(nodes['ptms'], 'boolean',
-                                       design['PTM'][i])
-                    MQParam._add_child(nodes['paramGroupIndices'], 'int', 0)
-                    MQParam._add_child(nodes['referenceChannel'], 'string', '')
+    def translate(self, infiles):
+        """Map a list of given infiles to the files specified in the parameter file.
+        Needed for the mqpar upload in galaxy. Removes the path and then tries
+        to match the files.
+        Args:
+            infiles: list or tuple of the input
+        Returns:
+            None
+        """
+        # kind of a BUG: fails if filename starts with '.'
+        infilenames = [os.path.basename(f).split('.')[0] for f in infiles]
+        filesNode = self._root.find('filePaths')
+        files_from_mqpar = [e.text for e in filesNode]
+        filesNode.clear()
+        filesNode.tag = 'filePaths'
+        for f in files_from_mqpar:
+            # either windows or posix path
+            win = ntpath.basename(f)
+            posix = os.path.basename(f)
+            basename = win if len(win) < len(posix) else posix
+            basename_with_sub = re.sub(self.substitution_rx, '_',
+                                       basename.split('.')[0])
+            # match infiles to their names in mqpar.xml,
+            # ignore files missing in mqpar.xml
+            if basename_with_sub in infilenames:
+                i = infilenames.index(basename_with_sub)
+                et_add_child(filesNode, 'string', infiles[i])
+            else:
+                raise ValueError("no matching infile found for " + f)
 
-    def add_fasta_files(self, files,
-                        identifier=r'>([^\s]*)',
-                        description=r'>(.*)'):
+    def add_fasta_files(self, files, parse_rules={}):
         """Add fasta file groups.
-        >>> t = MQParam('test', './test-data/template.xml', None)
-        >>> t.add_fasta_files(('test1', 'test2'))
-        >>> len(t.root.find('fastaFiles'))
-        2
-        >>> t.root.find('fastaFiles')[0].find("fastaFilePath").text
-        'test1'
+        Args:
+            files: (list) of fasta file paths
+            parseRules: (dict) the parse rules as (tag, text)-pairs
+        Returns:
+            None
         """
-        fasta_node = self.root.find("fastaFiles")
+        fasta_node = self._root.find('fastaFiles')
         fasta_node.clear()
-        fasta_node.tag = "fastaFiles"
-
-        for index in range(len(files)):
-            filepath = '<fastaFilePath>' + files[index]
-            identifier = identifier.replace('<', '&lt;')
-            description = description.replace('<', '&lt;')
-            fasta = self.fasta_template.replace('<fastaFilePath>', filepath)
-            fasta = fasta.replace('<identifierParseRule>',
-                                  '<identifierParseRule>' + identifier)
-            fasta = fasta.replace('<descriptionParseRule>',
-                                  '<descriptionParseRule>' + description)
-            ff_node = self.root.find('.fastaFiles')
-            fastaentry = ET.fromstring(fasta)
-            ff_node.append(fastaentry)
+        for f in files:
+            fasta_node.append(copy.deepcopy(self.fasta_file_node))
+            fasta_node[-1].find('fastaFilePath').text = f
+            for rule in parse_rules:
+                fasta_node[-1].find(rule).text = parse_rules[rule]
 
     def set_simple_param(self, key, value):
         """Set a simple parameter.
-        >>> t = MQParam(None, './test-data/template.xml', None)
-        >>> t.set_simple_param('min_unique_pep', 4)
-        >>> t.root.find('.minUniquePeptides').text
-        '4'
+        Args:
+            key: (string) XML tag of the parameter
+            value: the text of the parameter XML node
+        Returns:
+            None
         """
-        # map simple params to their node in the xml tree
-        simple_params = {'missed_cleavages':
-                         '.parameterGroups/parameterGroup/maxMissedCleavages',
-                         'min_unique_pep': '.minUniquePeptides',
-                         'num_threads': 'numThreads',
-                         'calc_peak_properties': '.calcPeakProperties',
-                         'write_mztab': 'writeMzTab',
-                         'min_peptide_len': 'minPepLen',
-                         'max_peptide_mass': 'maxPeptideMass',
-                         'match_between_runs': 'matchBetweenRuns',
-                         'ibaq': 'ibaq',  # lfq global options
-                         'ibaq_log_fit': 'ibaqLogFit',
-                         'separate_lfq': 'separateLfq',
-                         'lfq_stabilize_large_ratios':
-                         'lfqStabilizeLargeRatios',
-                         'lfq_require_msms': 'lfqRequireMsms',
-                         'advanced_site_intensities':
-                         'advancedSiteIntensities',
-                         'lfq_mode':  # lfq param group options
-                         '.parameterGroups/parameterGroup/lfqMode',
-                         'lfq_skip_norm':
-                         '.parameterGroups/parameterGroup/lfqSkipNorm',
-                         'lfq_min_edges_per_node':
-                         '.parameterGroups/parameterGroup/lfqMinEdgesPerNode',
-                         'lfq_avg_edges_per_node':
-                         '.parameterGroups/parameterGroup/lfqAvEdgesPerNode',
-                         'lfq_min_ratio_count':
-                         '.parameterGroups/parameterGroup/lfqMinRatioCount'}
-
-        if key in simple_params:
-            node = self.root.find(simple_params[key])
-            if node is None:
-                raise ValueError('Element {} not found in parameter file'
-                                 .format(simple_params[key]))
-            node.text = str(value)
-        else:
-            raise ValueError("Parameter not found.")
+        node = self._root.find(key)
+        if node is None:
+            raise ValueError('Element {} not found in parameter file'
+                             .format(key))
+        node.text = str(value)
 
-    def set_silac(self, light_mods, medium_mods, heavy_mods):
-        """Set label modifications.
-        >>> t1 = MQParam('test', './test-data/template.xml', None)
-        >>> t1.set_silac(None, ('test1', 'test2'), None)
-        >>> t1.root.find('.parameterGroups/parameterGroup/maxLabeledAa').text
-        '2'
-        >>> t1.root.find('.parameterGroups/parameterGroup/multiplicity').text
-        '3'
-        >>> t1.root.find('.parameterGroups/parameterGroup/labelMods')[1].text
-        'test1;test2'
-        >>> t1.root.find('.parameterGroups/parameterGroup/labelMods')[2].text
-        ''
+    def _from_yaml(self, conf):
+        """Read a yaml config file.
+        Args:
+            conf: (string) path to the yaml conf file
+        Returns:
+            None
         """
-        multiplicity = 3 if medium_mods else 2 if heavy_mods else 1
-        max_label = str(max(len(light_mods) if light_mods else 0,
-                            len(medium_mods) if medium_mods else 0,
-                            len(heavy_mods) if heavy_mods else 0))
-        multiplicity_node = self.root.find('.parameterGroups/parameterGroup/'
-                                           + 'multiplicity')
-        multiplicity_node.text = str(multiplicity)
-        max_label_node = self.root.find('.parameterGroups/parameterGroup/'
-                                        + 'maxLabeledAa')
-        max_label_node.text = max_label
-
-        node = self.root.find('.parameterGroups/parameterGroup/labelMods')
-        node[0].text = ';'.join(light_mods) if light_mods else ''
-        if multiplicity == 3:
-            MQParam._add_child(node, name='string', text=';'.join(medium_mods))
-        if multiplicity > 1:
-            MQParam._add_child(node, name='string',
-                               text=';'.join(heavy_mods) if heavy_mods else '')
+        with open(conf) as f:
+            conf_dict = yaml.safe_load(f.read())
+        paramGroups = conf_dict.pop('paramGroups')
+        self.add_infiles([pg.pop('files') for pg in paramGroups])
+        for i, pg in enumerate(paramGroups):
+            silac = pg.pop('labelMods', False)
+            if silac:
+                self[i].set_silac(*silac)
+            isobaricLabels = pg.pop('isobaricLabels', False)
+            if isobaricLabels:
+                for l in isobaricLabels:
+                    self[i].set_isobaric_label(*l)
+            for el in ['fixedModifications', 'variableModifications', 'enzymes']:
+                lst = pg.pop(el, None)
+                if lst is not None:
+                    self[i].set_list_param(el, lst)
+            for key in pg:
+                self[i].set_simple_param(key, pg[key])
+        fastafiles = conf_dict.pop('fastaFiles', False)
+        if fastafiles:
+            self.add_fasta_files(fastafiles, parse_rules=conf_dict.pop('parseRules', {}))
+        else:
+            raise Exception('No fasta files provided.')
+        for key in conf_dict:
+            self.set_simple_param(key, conf_dict[key])
 
-    def set_list_params(self, key, vals):
-        """Set a list parameter.
-        >>> t = MQParam(None, './test-data/template.xml', None)
-        >>> t.set_list_params('proteases', ('test 1', 'test 2'))
-        >>> len(t.root.find('.parameterGroups/parameterGroup/enzymes'))
-        2
-        >>> t.set_list_params('var_mods', ('Oxidation (M)', ))
-        >>> var_mods = '.parameterGroups/parameterGroup/variableModifications'
-        >>> t.root.find(var_mods)[0].text
-        'Oxidation (M)'
+    def write(self, mqpar_out):
+        """Write pretty formatted xml parameter file.
+        Compose it from global parameters and parameter Groups.
         """
-
-        params = {'var_mods':
-                  '.parameterGroups/parameterGroup/variableModifications',
-                  'fixed_mods':
-                  '.parameterGroups/parameterGroup/fixedModifications',
-                  'proteases':
-                  '.parameterGroups/parameterGroup/enzymes'}
-
-        if key in params:
-            node = self.root.find(params[key])
-            if node is None:
-                raise ValueError('Element {} not found in parameter file'
-                                 .format(params[key]))
-            node.clear()
-            node.tag = params[key].split('/')[-1]
-            for e in vals:
-                MQParam._add_child(node, name='string', text=e)
-        else:
-            raise ValueError("Parameter {} not found.".format(key))
-
-    def write(self):
-        rough_string = ET.tostring(self.root, 'utf-8', short_empty_elements=False)
+        if self._paramGroups:
+            pg_node = self._root.find('parameterGroups')
+            pg_node.remove(pg_node[0])
+            for group in self._paramGroups:
+                pg_node.append(group._root)
+        rough_string = ET.tostring(self._root, 'utf-8', short_empty_elements=False)
         reparsed = minidom.parseString(rough_string)
         pretty = reparsed.toprettyxml(indent="\t")
         even_prettier = re.sub(r"\n\s+\n", r"\n", pretty)
-        with open(self.mqpar_out, 'w') as f:
+        with open(mqpar_out, 'w') as f:
             print(even_prettier, file=f)
diff -r 175e062b6a17 -r dcd39bcc7481 mqwrapper.py
--- a/mqwrapper.py	Thu Aug 15 08:09:00 2019 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,148 +0,0 @@
-"""
-Run MaxQuant on a modified mqpar.xml.
-Use maxquant conda package.
-TODO: add support for parameter groups
-
-Authors: Damian Glaetzer <d.glaetzer@mailbox.org>
-
-based on the maxquant galaxy tool by John Chilton:
-https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/maxquant
-"""
-
-import argparse
-import os
-import shutil
-import subprocess
-
-import mqparam
-
-# build parser
-parser = argparse.ArgumentParser()
-
-# input, special outputs and others
-other_args = ('raw_files', 'mzxml_files', 'fasta_files',
-              'description_parse_rule', 'identifier_parse_rule',
-              'exp_design', 'output_all',
-              'mqpar_out', 'infile_names', 'mzTab',
-              'version', 'substitution_rx')
-
-# txt result files
-txt_output = ('evidence', 'msms', 'parameters',
-              'peptides', 'proteinGroups', 'allPeptides',
-              'libraryMatch', 'matchedFeatures',
-              'modificationSpecificPeptides', 'ms3Scans',
-              'msmsScans', 'mzRange', 'peptideSection',
-              'summary')
-
-# arguments for mqparam
-# global
-global_flags = ('calc_peak_properties',
-                'write_mztab',
-                'ibaq',
-                'ibaq_log_fit',
-                'separate_lfq',
-                'lfq_stabilize_large_ratios',
-                'lfq_require_msms',
-                'advanced_site_intensities',
-                'match_between_runs')
-
-global_simple_args = ('min_unique_pep',
-                      'num_threads',
-                      'min_peptide_len',
-                      'max_peptide_mass')
-
-# parameter group specific
-param_group_flags = ('lfq_skip_norm',)
-
-param_group_simple_args = ('missed_cleavages',
-                           'lfq_mode',
-                           'lfq_min_edges_per_node',
-                           'lfq_avg_edges_per_node',
-                           'lfq_min_ratio_count')
-
-param_group_silac_args = ('light_mods', 'medium_mods', 'heavy_mods')
-
-list_args = ('fixed_mods', 'var_mods', 'proteases')
-
-arguments = ['--' + el for el in (txt_output
-                                  + global_simple_args
-                                  + param_group_simple_args
-                                  + list_args
-                                  + param_group_silac_args
-                                  + other_args)]
-
-flags = ['--' + el for el in global_flags + param_group_flags]
-
-for arg in arguments:
-    parser.add_argument(arg)
-for flag in flags:
-    parser.add_argument(flag, action="store_true")
-
-args = vars(parser.parse_args())
-
-# link infile datasets to names with correct extension
-# for maxquant to accept them
-files = (args['raw_files'] if args['raw_files']
-         else args['mzxml_files']).split(',')
-ftype = ".thermo.raw" if args['raw_files'] else ".mzXML"
-filenames = args['infile_names'].split(',')
-fnames_with_ext = [(a if a.endswith(ftype)
-                    else os.path.splitext(a)[0] + ftype)
-                   for a in filenames]
-
-for f, l in zip(files, fnames_with_ext):
-    os.symlink(f, l)
-
-# build mqpar.xml
-mqpar_in = os.path.join(os.getcwd(), 'mqpar.xml')
-subprocess.run(('maxquant', '-c', mqpar_in))
-mqpar_out = args['mqpar_out'] if args['mqpar_out'] != 'None' else mqpar_in
-
-
-exp_design = args['exp_design'] if args['exp_design'] != 'None' else None
-m = mqparam.MQParam(mqpar_out, mqpar_in, exp_design,
-                    substitution_rx=args['substitution_rx'])
-if m.version != args['version']:
-    raise Exception('mqpar version is ' + m.version +
-                    '. Tool uses version {}.'.format(args['version']))
-
-# modify parameters, interactive mode if no mqpar_in was specified
-m.add_infiles([os.path.join(os.getcwd(), name) for name in fnames_with_ext], True)
-m.add_fasta_files(args['fasta_files'].split(','),
-                  identifier=args['identifier_parse_rule'],
-                  description=args['description_parse_rule'])
-
-for e in (global_simple_args
-          + param_group_simple_args
-          + global_flags
-          + param_group_flags):
-    if args[e]:
-        m.set_simple_param(e, args[e])
-
-for e in list_args:
-    if args[e]:
-        m.set_list_params(e, args[e].split(','))
-
-if args['light_mods'] or args['medium_mods'] or args['heavy_mods']:
-    m.set_silac(args['light_mods'].split(',') if args['light_mods'] else None,
-                args['medium_mods'].split(',') if args['medium_mods'] else None,
-                args['heavy_mods'].split(',') if args['heavy_mods'] else None)
-
-m.write()
-
-# build and run MaxQuant command
-cmd = ['maxquant', mqpar_out]
-
-subprocess.run(cmd, check=True, cwd='./')
-
-# copy results to galaxy database
-for el in txt_output:
-    destination = args[el]
-    source = os.path.join(os.getcwd(), "combined", "txt", "{}.txt".format(el))
-    if destination != 'None' and os.path.isfile(source):
-        shutil.copy(source, destination)
-
-if args['mzTab'] != 'None':
-    source = os.path.join(os.getcwd(), "combined", "txt", "mzTab.mzTab")
-    if os.path.isfile(source):
-        shutil.copy(source, args['mzTab'])
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/01/combined/txt/allPeptides.txt
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/01/combined/txt/allPeptides.txt	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,167 @@
+Raw file	Type	Charge	m/z	Mass	Uncalibrated m/z	Resolution	Number of data points	Number of scans	Number of isotopic peaks	PIF	Mass fractional part	Mass deficit	Mass precision [ppm]	Max intensity m/z 0	Retention time	Retention length	Retention length (FWHM)	Min scan number	Max scan number	Identified	Reverse	MS/MS IDs	Sequence	Length	Modifications	Modified sequence	Proteins	Score	PEP	Intensity	Intensities	Isotope pattern	MS/MS Count	MSMS Scan Numbers	MSMS Isotope Indices
+BSA_min_23	MULTI	3	710.69967	2129.0772	710.69967	NaN	5	3	2		0.0771919	0.0578164096173168	1.08086	711.033930698172	0.0366	8.26	0	1	25			-1		0				0	NaN	27555	0;16823.720703125;10726.12109375;6644.5966796875;0	7737.3974609375;9086.3232421875	0		
+BSA_min_23	MULTI	3	1567.4354	4699.2845	1567.4354	NaN	5	3	2		0.284514	0.0828426326752378	7.31572	1568.10387245715	0.0671	8.26	0	1	25			-1		0				0	NaN	137580	0;23479.5932617188;59085.9194335938;20990.259765625;0	0;0;53540.3203125;7305.36279296875	0		
+BSA_min_23	MULTI	2	466.26817	930.5218	466.26817	NaN	6	4	2		0.521797	0.0537564853223103	1.35299	466.26850803291	0.107	10.3	0	1	31			-1		0				0	NaN	33499	0;16896.8359375;13251.4482421875;29638.681640625;21903.5859375;0	22962.34375;6676.337890625	0		
+BSA_min_23	MULTI	2	835.80692	1669.5993	835.80692	NaN	7	4	2		0.599289	-0.208726257088529	1.09635	835.807035746435	0.107	10.3	0	1	31			-1		0				0	NaN	35250	0;14611.8764648438;18125.6357421875;25099.0166015625;15365.583984375;0	16483.943359375;8615.0732421875	0		
+BSA_min_23	MULTI	2	889.42648	1776.8384	889.42648	NaN	6	3	2		0.838398	-0.0189472723534436	2.69649	889.927320499287	0.107	8.26	0	1	25			-1		0				0	NaN	24592	0;9125.99072265625;13286.1201171875;16742.716796875;0	7208.8173828125;9533.8994140625	0		
+BSA_min_23	MULTI	2	378.70717	755.39978	378.70717	NaN	4	2	2		0.399783	0.0122990350871532	2.65249	378.7066995797	0.119	6.22	0	13	31			-1		0				0	NaN	17113	0;15764.96875;12169.2568359375;0	9865.826171875;5910.52587890625	0		
+BSA_min_23	MULTI	6	456.58136	2733.4445	456.58136	NaN	6	5	2		0.444504	0.14711979940148	1.25056	456.748107866223	0.139	12.6	0	7	43			-1		0				0	NaN	36582	0;9077.5439453125;13902.0874023438;19992.689453125;13010.4306640625;0;0	0;13844.125;6148.564453125	1	8	1
+BSA_min_23	MULTI	2	701.87367	1401.7328	701.87367	NaN	4	2	2		0.732779	0.0479819779827722	1.9101	701.87287295525	0.139	6.22	0	13	31			-1		0				0	NaN	19640	0;11736.2470703125;14934.2939453125;0	8433.541015625;6500.7529296875	0		
+BSA_min_23	MULTI	2	903.84665	1805.6788	903.84665	NaN	14	5	3		0.67875	-0.191861895242255	0.538046	903.846381489202	0.128	12.5	0	1	37			-1		0				0	NaN	89876	0;22660.5712890625;48080.4096679688;66770.5043945313;78759.361328125;39740.7744140625;0	39216.41796875;30181.7421875;16944.533203125	1	27	0
+BSA_min_23	MULTI	3	487.53462	1459.582	487.53462	NaN	16	8	3		0.582041	-0.129367074224319	0.600339	487.53461224021	0.133	19	0	1	55			-1		0				0	NaN	84731	0;7211.73095703125;32638.8959960938;79787.74609375;74581.1875;40743.359375;31912.87890625;10748.6064453125;5496.4296875;0	40288.40234375;32200.93359375;13735.64453125	1	33	1
+BSA_min_23	MULTI	3	583.22015	1746.6386	583.22015	NaN	7	4	2		0.638625	-0.204828530265331	2.09463	583.220239813966	0.176	10.5	0	7	37			-1		0				0	NaN	42292	0;4036.83081054688;17411.11328125;19834.8046875;29221.802734375;0	17431.560546875;11790.2421875	0		
+BSA_min_23	MULTI	3	635.6026	1903.786	635.6026	NaN	7	5	2		0.785967	-0.129774097720883	1.11727	635.602244079812	0.176	12.6	0	7	43			-1		0				0	NaN	46680	0;4302.31201171875;12941.4526367188;23817.1057128906;30967.701171875;0;0	17209.375;13758.326171875	0		
+BSA_min_23	MULTI	2	730.79903	1459.5835	730.79903	NaN	10	6	2		0.583509	-0.127899156014337	0.558717	730.799136547346	0.151	14.7	0	1	43			-1		0				0	NaN	77496	0;5839.765625;27434.9599609375;42471.279296875;58278.560546875;32345.4384765625;15650.7568359375;0	39553.00390625;19513.171875	1	29	0
+BSA_min_23	MULTI	2	996.94429	1991.874	996.94429	NaN	15	13	2		0.874033	-0.0822288372489766	0.834502	997.446155697545	0.123	28.7	0	7	87			-1		0				0	NaN	44879	0;20391.6489257813;28769.4560546875;39230.09765625;19622.400390625;13010.86328125;12843.5712890625;12676.279296875;15763.220703125;13381.2666015625;18258.947265625;16122.5546875;0;0;0	20617.05859375;21871.28515625	0		
+BSA_min_23	MULTI	1	553.54774	552.54046	553.54774	NaN	5	4	2		0.540459	0.246290167421193	1.29871	553.548098212165	0.187	10.6	0	13	43			-1		0				0	NaN	28661	0;7194.10693359375;13920.0515136719;27294.748046875;9278.2734375;0	20645.99609375;9278.2734375	0		
+BSA_min_23	MULTI	3	590.89146	1769.6526	590.89146	NaN	28	17	4		0.65256	-0.201479921302735	1.20734	590.892555318784	0.201	34.7	0	7	99			-1		0				0	NaN	205140	0;5421.52783203125;58125.6484375;83586.7021484375;221949.034179688;197493.010742188;143705.80859375;118893.451171875;119015.140625;104300.9921875;84159.234375;77041.5859375;64959.51171875;44811.44140625;16208.4931640625;12591.7412109375;10315.2958984375;9109.259765625;0	160150.890625;38292.2890625;32139.36328125;11321.0419921875	0		
+BSA_min_23	MULTI	3	587.56748	1759.6806	587.56748	NaN	16	10	3		0.680607	-0.1688458310025	2.1503	587.569121985401	0.212	22.3	0	19	81			-1		0				0	NaN	57560	0;13109.6430664063;29217.251953125;50790.830078125;21790.4321289063;20568.8234863281;10979.0302734375;9119.8173828125;8416.8525390625;11413.40234375;0;0	24772.69140625;14722.291015625;11295.84765625	0		
+BSA_min_23	MULTI	6	587.87625	3521.2138	587.87625	NaN	4	2	2		0.213834	-0.445924567463408	2.38309	588.210180411215	0.196	6.41	0	25	43			-1		0				0	NaN	34349	0;13874.8486328125;17290.8774414063;0	0;8027.1103515625;10157.0458984375	0		
+BSA_min_23	MULTI	1	589.20341	588.19613	589.20341	NaN	10	7	2		0.196134	-0.114435800485126	3.83881	589.201051822874	0.212	17.1	0	13	61			-1		0				0	NaN	68164	0;14854.7666015625;37177.287109375;46327.6962890625;64286.15625;26063.041015625;23368.17578125;17158.552734375;0	41388.5234375;22897.6328125	1	10	0
+BSA_min_23	MULTI	6	590.40822	3536.4057	590.40822	NaN	4	2	2		0.405687	-0.261060095588618	3.32265	590.57477054294	0.212	6.41	0	25	43			-1		0				0	NaN	56199	0;16573.9814453125;28139.0107421875;0	0;19273.1171875;8865.8935546875	0		
+BSA_min_23	MULTI	7	590.66192	4127.5825	590.66192	NaN	4	2	2		0.582521	-0.356166474299243	4.03335	590.947686227246	0.212	6.41	0	25	43			-1		0				0	NaN	44692	0;18000.388671875;19312.4345703125;0	0;8137.1513671875;11175.283203125	0		
+BSA_min_23	MULTI	3	1567.3197	4698.9374	1567.3197	NaN	9	7	2		0.937419	-0.264092711297053	2.9757	1568.32398965869	0.199	17.1	0	13	61			-1		0				0	NaN	89862	0;18336.91015625;24437.509765625;21274.6474609375;38593.7509765625;24568.837890625;22314.265625;0;0	0;0;14312.962890625;26823.41015625	0		
+BSA_min_23	MULTI	2	441.71645	881.41834	441.71645	NaN	16	10	2		0.41834	-0.0271124766325102	0.350068	441.716375382017	0.139	23	0	1	65			-1		0				0	NaN	114490	0;5712.41015625;26837.841796875;55472.7392578125;102380.125;83058.240234375;69780.052734375;41715.6982421875;19781.36328125;16646.99609375;7474.2314453125;0	69811.8125;32568.3125	1	24	0
+BSA_min_23	MULTI	4	589.26254	2353.0211	589.26254	NaN	10	7	2		0.0210522	-0.101337473261083	1.71892	589.513471781483	0.248	16.8	0	19	65			-1		0				0	NaN	86626	0;13832.5556640625;20902.3041992188;29452.2314453125;49581.69921875;13312.3544921875;13739.1064453125;12947.478515625;0	20231.46484375;29350.234375	0		
+BSA_min_23	MULTI	3	589.2688	1764.7846	589.2688	NaN	10	7	2		0.784571	-0.0672303921774073	2.0428	589.269187431499	0.248	16.8	0	19	65			-1		0				0	NaN	96565	0;18051.07421875;23263.3901367188;38484.591796875;37740.23046875;17053.97265625;12810.2265625;17373.419921875;0	37740.23046875;28981.341796875	0		
+BSA_min_23	MULTI	3	590.58179	1768.7235	590.58179	NaN	9	5	3		0.723529	-0.130083827993076	4.21008	591.247820427107	0.227	13	0	25	61			-1		0				0	NaN	32803	0;9242.7578125;31178.3193359375;28945.6411132813;8860.56640625;9516.63671875;0	8819.9521484375;11911.1708984375;15289.587890625	0		
+BSA_min_23	MULTI	6	666.79309	3994.7149	666.79309	NaN	10	10	2		0.714858	-0.162710699908985	1.59962	667.126873609252	0.226	23	0	1	65			-1		0				0	NaN	55749	0;5909.42919921875;3821.90551757813;6653.73193359375;9260.923828125;9354.39990234375;24595.873046875;20383.255859375;9948.12109375;0;0;0	0;0;15147.9970703125;10170.259765625	0		
+BSA_min_23	MULTI	6	680.96393	4079.7399	680.96393	NaN	16	8	3		0.73991	-0.176770254570329	0.699632	681.298098346713	0.169	19	0	1	55			-1		0				0	NaN	69972	0;7875.16064453125;13812.1008300781;46568.4580078125;38948.9130859375;50431.388671875;44762.7075195313;26269.5;0;0	0;19749.041015625;25162.62109375;18991.82421875	0		
+BSA_min_23	MULTI	3	694.975	2081.9032	694.975	NaN	4	2	2		0.903176	-0.0944992764948438	1.82037	695.308482832509	0.229	6.52	0	31	49			-1		0				0	NaN	43441	0;27048.9365234375;23994.908203125;0	12837.9169921875;14675.716796875	0		
+BSA_min_23	MULTI	2	428.70867	855.40279	428.70867	NaN	11	7	2		0.40279	-0.030695093111035	0.983018	428.708371254103	0.285	16.4	0	31	75			-1		0				0	NaN	72480	0;10360.298828125;22505.4140625;65483.0126953125;49747.6396484375;35665.490234375;22419.4526367188;10354.0390625;0	49312.55078125;16170.4619140625	0		
+BSA_min_23	MULTI	2	430.21365	858.41275	430.21365	NaN	56	18	4		0.412751	-0.0221191473186764	0.25688	430.213569645561	0.209	36.8	0	1	99			-1		0				0	NaN	4623200	0;34295.154296875;247447.940429688;1035511.25878906;2505087.02734375;4312550.0546875;4609390.8671875;3267685.98828125;1936857.54882813;987995.364257813;518202.7734375;378482.723632813;225659.90234375;148931.6015625;90459.423828125;74133.505859375;59664.51953125;42756.328125;48168.0751953125;0	2924319.75;1336448.875;317050.875;47937.1484375	0		
+BSA_min_23	MULTI	3	432.22869	1293.6642	432.22869	NaN	9	7	2		0.664245	0.0291590861361328	1.88305	432.229065505774	0.285	16.6	0	25	71			-1		0				0	NaN	55443	0;19237.4482421875;25296.216796875;29169.5;23524.728515625;19180.0048828125;14835.28125;0;0	23524.728515625;21770.6953125	0		
+BSA_min_23	MULTI	1	460.25434	459.24706	460.25434	NaN	28	16	3		0.247062	-0.00419145888525918	0.329291	460.254226120215	0.248	32.7	0	13	99			-1		0				0	NaN	386290	0;18950.966796875;57632.0576171875;158822.998046875;305416.00390625;384578.478515625;360408.093261719;205314.599609375;127072.083984375;69260.1640625;49188.4482421875;33121.2827148438;12829.283203125;7028.54736328125;11180.828125;6266.0771484375;7068.74951171875;0	314043.3125;61547.9765625;8987.189453125	1	62	0
+BSA_min_23	MULTI	3	591.30445	1770.8915	591.30445	NaN	6	4	2		0.891506	0.0368961847357241	3.68003	591.303334815147	0.268	10.9	0	31	61			-1		0				0	NaN	24534	0;6805.34619140625;17013.9306640625;16952.1157226563;7297.40283203125;0	10457.189453125;8804.8056640625	0		
+BSA_min_23	MULTI	1	636.24185	635.23457	636.24185	NaN	14	10	2		0.234574	-0.097633573559051	1.15628	636.241538174231	0.212	22.3	0	19	81			-1		0				0	NaN	39209	0;20621.6401367188;27859.341796875;36664.375;22582.1071777344;21407.59375;17827.244140625;10265.005859375;13880.87890625;20598.76953125;13299.2958984375;0	24925.7734375;11738.6015625	0		
+BSA_min_23	MULTI	2	647.8399	1293.6653	647.8399	NaN	9	6	2		0.665251	0.0301650765775321	1.10528	647.839872936317	0.274	14.8	0	25	65			-1		0				0	NaN	41897	0;4950.98583984375;25782.7021484375;31775.087890625;34228.533203125;13141.09375;10427.9638671875;0	27702.662109375;10557.603515625	0		
+BSA_min_23	MULTI	3	648.60273	1942.7863	648.60273	NaN	85	18	6		0.786346	-0.147335687594932	0.208825	648.937253989719	0.573	36.8	0	1	99			-1		0				0	NaN	1567800	0;28065.0712890625;144251.646484375;405923.014648438;754750.899414063;1121288.75195313;1333692.67333984;1061315.125;743618.377441406;379147.542480469;199319.866210938;132299.228515625;109954.0703125;135743.643554688;346811.82421875;614832.4609375;962218.828125;1292816.84375;1491658.890625;0	508366;535231.6875;299580.0625;148481.140625;41212.32421875;15299.09375	1	16	0
+BSA_min_23	MULTI	3	649.93789	1946.7918	649.93789	NaN	7	5	2		0.791838	-0.143686190632934	0.87146	649.937995195368	0.578	10.1	0	75	99			-1		0				0	NaN	157650	0;6861.765625;17455.173828125;39921.91796875;29562.4052734375;49653.16796875;0	49653.16796875;11445.888671875	0		
+BSA_min_23	MULTI	3	686.59653	2056.7677	686.59653	NaN	36	14	4		0.767747	-0.218366349177359	0.411838	686.931051686353	0.223	29.8	0	13	95			-1		0				0	NaN	123510	0;26569.39453125;43388.482421875;82031.52734375;116862.93359375;85939.5791015625;79684.021484375;88727.9345703125;58203.310546875;65348.49609375;38263.107421875;29457.708984375;11792.2431640625;9849.99194335938;0;0	42148.32421875;47932.00390625;24425.791015625;16167.17578125	3	45;40;68	0;1;1
+BSA_min_23	MULTI	2	895.31237	1788.6102	895.31237	NaN	10	8	2		0.610186	-0.252574695746944	0.751748	895.311913529083	0.233	18.6	0	19	71			-1		0				0	NaN	47062	0;11361.0126953125;28555.4921875;31371.5551757813;32040.1845703125;10788.408203125;10082.818359375;9289.83984375;0;0	18817.9765625;14035.2080078125	0		
+BSA_min_23	MULTI	2	972.40141	1942.7883	972.40141	NaN	59	18	5		0.788268	-0.145414989355231	0.269552	972.40177460238	0.329	36.8	0	1	99			-1		0				0	NaN	262800	0;4246.1767578125;40125.2734375;77208.6850585938;182910.365234375;242426.985351563;287777.103515625;252841.328125;176875.372558594;94570.7978515625;50701.9379882813;38260.4731445313;35132.99609375;34651.349609375;74085.322265625;137379.70703125;198600.7109375;179856.0546875;0;0	112759.3515625;101588.5859375;56878.29296875;19207.091796875;17738.21875	2	26;84	0;2
+BSA_min_23	MULTI	4	429.92509	1715.6713	429.92509	NaN	7	5	2		0.671257	-0.157952122841607	2.82485	429.925094664274	0.321	12.7	0	31	65			-1		0				0	NaN	26049	0;8481.134765625;14618.0075683594;11613.4526367188;9648.9921875;7473.99072265625;0	9648.9921875;8540.25390625	0		
+BSA_min_23	MULTI	4	589.59562	2354.3534	589.59562	NaN	8	5	2		0.353382	0.230379921541953	1.3843	589.595656530174	0.248	13	0	25	61			-1		0				0	NaN	64579	0;10925.0244140625;14820.3544921875;36963.216796875;16641.0244140625;16239.8159179688;0	20175.87109375;16787.345703125	0		
+BSA_min_23	MULTI	5	800.1518	3995.7226	800.1518	NaN	14	10	2		0.722628	-0.155404568714857	1.18081	800.552919826053	0.247	23	0	1	65			-1		0				0	NaN	73479	0;7012.5498046875;17109.7705078125;17021.0578613281;16932.3452148438;23082.3002929688;32776.265625;30806.3974609375;16545.03515625;0;0;0	0;11061.5537109375;22995.376953125	0		
+BSA_min_23	MULTI	5	844.16903	4215.8088	844.16903	NaN	7	6	2		0.808778	-0.170493596866436	1.27286	844.570172636809	0.298	15	0	19	61			-1		0				0	NaN	65701	0;6662.13818359375;15565.4140625;15275.6889648438;14985.9638671875;28904.6640625;11368.2294921875;0	0;0;18802.0625;11368.2294921875	1	50	2
+BSA_min_23	MULTI	3	1177.4423	3529.3049	1177.4423	NaN	31	8	5		0.304927	-0.358553529394612	0.516171	1178.11094415404	0.226	18.6	0	19	71			-1		0				0	NaN	160080	0;25418.8247070313;84027.6923828125;147076.34765625;95005.095703125;99895.0546875;54558.0444335938;22814.7470703125;9474.4794921875;0	22083.86328125;29197.080078125;38720.5078125;38302.7109375;20034.43359375	1	54	2
+BSA_min_23	MULTI	3	558.88808	1673.6424	558.88808	NaN	33	10	4		0.642405	-0.16747048189427	0.343395	558.887989238826	0.283	22.6	0	13	75			-1		0				0	NaN	150180	0;18954.7646484375;31117.8129882813;66254.8271484375;104159.986328125;143830.784179688;136875.25390625;145330.196289063;92728.7651367188;56655.2822265625;30203.2490234375;0	62266.4921875;54142.33203125;24202.330078125;12673.5869140625	1	42	0
+BSA_min_23	MULTI	3	583.22091	1746.6409	583.22091	NaN	7	5	2		0.640893	-0.202562289989373	2.43423	583.221826764718	0.37	12	0	43	75			-1		0				0	NaN	48316	0;7266.328125;24042.4111328125;21761.0380859375;17102.5625;8603.3798828125;0	17102.5625;14185.3974609375	0		
+BSA_min_23	MULTI	3	589.24553	1764.7148	589.24553	NaN	20	7	4		0.71476	-0.1370085531521	3.04224	589.579177355132	0.375	16	0	43	87			-1		0				0	NaN	180380	0;120746.40625;71609.04296875;105408.171875;56063.1953125;109808.34765625;60442.056640625;4558.28564453125;0	45153.94921875;59415.44921875;39429.60546875;12798.376953125	0		
+BSA_min_23	MULTI	1	589.20652	588.19924	589.20652	NaN	10	8	2		0.199244	-0.111327639456249	2.03427	589.207617474111	0.357	17.1	0	49	95			-1		0				0	NaN	63526	0;44716.1611328125;59911.9189453125;40800.3193359375;44698.54296875;20254.080078125;12971.00390625;11112.0151367188;0;0	49007.08203125;10904.8369140625	0		
+BSA_min_23	MULTI	1	651.3082	650.30092	651.3082	NaN	6	5	2		0.300919	-0.0382193743422476	3.98041	651.306472473807	0.344	12.7	0	31	65			-1		0				0	NaN	20074	0;8384.5419921875;7275.85791015625;6167.173828125;13858.3330078125;6251.76123046875;0	12519.9287109375;6966.7021484375	0		
+BSA_min_23	MULTI	2	747.85609	1493.6976	747.85609	NaN	11	7	2		0.697633	-0.0294677741956093	0.633521	747.856213318885	0.299	16	0	37	81			-1		0				0	NaN	59701	0;28644.3671875;44153.337890625;35112.1796875;35337.53125;18053.107421875;8359.4873046875;14446.8232421875;0	27482.5703125;17998.302734375	1	53	0
+BSA_min_23	MULTI	2	837.82914	1673.6437	837.82914	NaN	18	8	3		0.643732	-0.166143809373125	0.815141	837.829569807565	0.278	18.6	0	19	71			-1		0				0	NaN	45616	0;6693.94580078125;31269.3012695313;30541.4719238281;40796.029296875;44514.17578125;36172.994140625;25499.6586914063;0;0	23606.51953125;13825.3603515625;13984.6650390625	0		
+BSA_min_23	MULTI	1	859.42116	858.41388	859.42116	NaN	29	12	3		0.41388	-0.0209899612918889	0.426206	859.420851660869	0.212	26.5	0	7	81			-1		0				0	NaN	557710	0;13290.1416015625;100594.213378906;266763.046875;435235.05078125;547257.05078125;345990.283203125;205504.112304688;104794.486083984;52481.205078125;40870.79296875;20906.578125;8576.1142578125;0	370233.71875;140401.5625;36621.76953125	0		
+BSA_min_23	MULTI	2	491.77345	981.53235	491.77345	NaN	11	8	2		0.532354	0.0408495872873118	0.482851	491.773380944561	0.321	18.2	0	31	81			-1		0				0	NaN	104360	0;7303.05908203125;16159.2209472656;40807.0859375;91648.3046875;54694.38671875;47368.5234375;10526.0244140625;0;0	66131.3984375;25516.90625	1	57	0
+BSA_min_23	MULTI	3	592.55974	1774.6574	592.55974	NaN	48	14	4		0.657399	-0.198943483430185	1.2675	592.557537743774	0.212	29.8	0	13	95			-1		0				0	NaN	149790	0;33910.7260742188;73662.5844726563;106855.57421875;144205.1171875;127660.017578125;113099.659179688;93423.3173828125;92180.3530273438;88326.3466796875;62982.400390625;51552.6787109375;34595.330078125;10545.2788085938;8610.5205078125;0	51832.45703125;50291.87890625;28175.7578125;13905.0234375	1	41	0
+BSA_min_23	MULTI	2	629.35657	1256.6986	629.35657	NaN	33	14	3		0.698585	0.0805035920807313	0.3737	629.356557471474	0.352	28.5	0	25	99			-1		0				0	NaN	84871	0;26214.005859375;39450.3032226563;73265.43359375;83140.2016601563;77743.1044921875;40797.9233398438;57422.8359375;42278.9248046875;34750.2763671875;50503.193359375;38396.876953125;40255.9130859375;33574.0908203125;25437.541015625;0	47581.3515625;28788.931640625;14806.8837890625	2	52;82	0;1
+BSA_min_23	MULTI	2	640.30031	1278.5861	640.30031	NaN	12	8	2		0.586068	-0.0420820370879937	0.600901	640.300130210895	0.285	18.5	0	25	75			-1		0				0	NaN	125860	0;9160.892578125;19117.23046875;78155.11328125;102824.73828125;73501.974609375;35612.3078613281;21785.9375;10527.8427734375;0	77012.4609375;25812.27734375	0		
+BSA_min_23	MULTI	6	703.14052	4212.7995	703.14052	NaN	30	15	3		0.799472	-0.178415391231283	0.453421	703.641797424229	0.232	32.5	0	1	91			-1		0				0	NaN	124220	0;4114.4375;6742.03955078125;44575.62890625;22601.6904296875;25303.7998046875;78536.439453125;85620.849609375;56643.9921875;51514.5390625;65689.0830078125;50273.03125;22991.4169921875;11016.083984375;8830.76708984375;0;0	0;20171.275390625;30924.18359375;38276.57421875	2	38;46	3;3
+BSA_min_23	MULTI	2	883.33306	1764.6516	883.33306	NaN	107	18	7		0.651567	-0.200172994590503	0.373115	883.333804513352	0.221	36.8	0	1	99			-1		0				0	NaN	7791700	0;63657.4609375;417828.625488281;1563921.73925781;4984059.33300781;7615291.18847656;7787687.57324219;7739859.88183594;7045976.23242188;5556411.3984375;4645030.30273438;4986375.23046875;3504478.94238281;2470150.67773438;2064311.35058594;882280.721679688;421294.862304688;306400.518554688;238636.072265625;0	2940086.75;2482749.75;1540868.375;622527.5;214791.90625;47866.33203125;15473.23046875	1	14	0
+BSA_min_23	MULTI	1	553.27749	552.27021	553.27749	NaN	17	12	2		0.270214	-0.0238298753067738	0.431048	553.277311678574	0.381	24.3	0	37	99			-1		0				0	NaN	97228	0;20312.01171875;57889.08203125;68388.345703125;76141.0166015625;92593.984375;64140.8876953125;32069.373046875;21096.072265625;22598.16796875;10602.947265625;9876.5322265625;7587.9228515625;0	69193.0859375;23400.8984375	0		
+BSA_min_23	MULTI	3	586.58021	1756.7188	586.58021	NaN	19	12	2		0.718794	-0.129296646628973	1.49198	586.581526045349	0.235	26.6	0	13	87			-1		0				0	NaN	57990	0;8277.3671875;12366.5791015625;38181.6318359375;41469.95703125;40067.9775390625;31940.892578125;30886.6953125;32483.7431640625;29524.6865234375;19519.904296875;9948.9228515625;8517.7197265625;0	27155.314453125;15094.3203125	0		
+BSA_min_23	MULTI	3	603.56731	1807.6801	603.56731	NaN	41	18	4		0.680103	-0.191430144872356	0.635744	603.567778225039	0.401	36.8	0	1	99			-1		0				0	NaN	192200	0;17239.70703125;38398.140625;68209.7578125;44680.146484375;36875.982421875;17964.818359375;23854.7690429688;29744.7197265625;74021.4399414063;150967.462158203;184519.19140625;163861.6015625;134130.147460938;71457.2280273438;42130.4716796875;27869.7397460938;11256.84375;0;0	121882.3984375;41811.76171875;29758.44140625;9925.435546875	0		
+BSA_min_23	MULTI	3	716.61937	2146.8363	716.61937	NaN	16	11	2		0.836268	-0.191276456705054	0.685629	716.619541654578	0.205	24.5	0	19	87			-1		0				0	NaN	48311	0;12849.6088867188;29496.421875;24679.8012695313;20412.23046875;20214.001953125;17518.896484375;15178.76953125;7751.4482421875;7232.26953125;0;0;0	18274.05078125;12429.9521484375	0		
+BSA_min_23	MULTI	2	889.45894	1776.9033	889.45894	NaN	18	10	2		0.903322	0.0459469528414047	2.10205	889.456361948479	0.212	22.3	0	19	81			-1		0				0	NaN	41697	0;15064.0639648438;22494.416015625;28388.18359375;25469.2763671875;23399.1943359375;16294.8203125;17724.4072265625;15767.923828125;12930.5112304688;0;0	14872.3779296875;13515.8056640625	0		
+BSA_min_23	MULTI	4	1010.44	4037.731	1010.44	NaN	18	14	2		0.731019	-0.166337457265854	0.986841	1010.94162100229	0.436	30.7	0	1	87			-1		0				0	NaN	112280	0;10156.712890625;7766.62036132813;5376.52783203125;6872.99877929688;17473.41015625;25195.6303710938;28296.6430664063;29709.97265625;33089.5224609375;17869.90625;26438.134765625;15265.9873046875;0;0;0	0;0;26905.4921875;21646.40625	1	73	2
+BSA_min_23	MULTI	2	687.86548	1373.7164	687.86548	NaN	11	7	2		0.716404	0.0444939738997618	0.887343	687.865353952537	0.37	15.6	0	49	91			-1		0				0	NaN	33144	0;18385.0322265625;27934.1484375;25495.43359375;26159.4575195313;12532.0517578125;15928.9736328125;8517.1220703125;0	17509.4921875;14851.484375	0		
+BSA_min_23	MULTI	1	756.32462	755.31735	756.32462	NaN	31	14	3		0.317345	-0.0701008216196897	0.308848	756.324380191374	0.364	28.5	0	25	99			-1		0				0	NaN	378430	0;7204.44580078125;47255.345703125;94307.564453125;199828.15625;309160.737304688;373160.3984375;383085.8203125;296717.079589844;255018.177734375;110075.21875;66738.6669921875;45039.916015625;36704.9519042969;21860.240234375;0	274205.625;101792.2734375;17816.484375	0		
+BSA_min_23	MULTI	1	818.46323	817.45595	818.46323	NaN	51	15	4		0.455952	0.039922490754293	0.253198	818.463044517742	0.285	30.6	0	19	99			-1		0				0	NaN	3540200	0;53608.748046875;307344.940429688;1101364.30078125;2413991.0859375;3530726.27148438;3342216.4921875;2629555.02734375;1868843.86523438;999259.843261719;683486.513183594;365709.935546875;231673.184570313;185454.544921875;139522.327148438;106922.21875;0	2380896.25;915269.6875;204690.5;35263.4921875	0		
+BSA_min_23	MULTI	2	903.84679	1805.679	903.84679	NaN	34	11	4		0.679035	-0.191577353619095	0.435755	903.847098691041	0.38	22.1	0	43	99			-1		0				0	NaN	257580	0;29697.7915039063;100644.701171875;163376.744140625;247293.284179688;185513.967773438;127613.503417969;94954.935546875;42225.22265625;38496.125;12596.8403320313;5977.19482421875;0	118280.4140625;73372.453125;46765.7578125;13157.82421875	0		
+BSA_min_23	MULTI	2	931.3282	1860.6419	931.3282	NaN	36	15	3		0.641851	-0.254043941709597	0.429513	931.829732563865	0.234	31.2	0	13	99			-1		0				0	NaN	125990	0;8562.439453125;70787.5283203125;100848.892578125;120559.4921875;109631.466796875;105017.98046875;50258.771484375;77050.14453125;74874.2705078125;50473.3837890625;51247.396484375;25470.8732910156;5476.83740234375;5522.0751953125;5731.56689453125;0	52031.57421875;58461.62109375;26591.400390625	2	34;28	0;1
+BSA_min_23	MULTI	2	1173.0764	2344.1383	1173.0764	NaN	19	8	3		0.13827	0.0199663555176812	0.782869	1174.0796454798	0.413	17.8	0	43	91			-1		0				0	NaN	87851	0;10028.392578125;28740.2319335938;59576.18359375;55903.1953125;70638.875;56200.3173828125;15527.8002929688;5090.19873046875;0	24950.53125;23081.546875;25835.8671875	2	69;80	0;1
+BSA_min_23	MULTI	2	618.78778	1235.561	618.78778	NaN	7	4	2		0.561004	-0.0473540196164777	1.13656	618.787640334343	0.429	9.46	0	65	91			-1		0				0	NaN	27796	0;22946.2563476563;26823.1875;19044.109375;10336.0966796875;0	17339.525390625;14209.6103515625	0		
+BSA_min_23	MULTI	3	664.96461	1991.872	664.96461	NaN	31	14	3		0.871989	-0.0842722382756165	0.292653	664.96435959133	0.156	30.7	0	1	87			-1		0				0	NaN	150530	0;19021.6748046875;57591.6669921875;128168.81640625;119438.103515625;69031.9580078125;56302.2685546875;36752.7612304688;44651.83984375;48432.5732421875;76716.802734375;54665.783203125;46903.35546875;45491.83984375;0;0	58531.14453125;50156.61328125;26759.197265625	3	23;60;78	0;1;2
+BSA_min_23	MULTI	6	674.46385	4040.7395	674.46385	NaN	11	9	2		0.739469	-0.159271653350061	0.970961	674.798182396693	0.404	20	0	37	91			-1		0				0	NaN	114520	0;12331.5234375;10114.7980957031;7898.07275390625;17520.98046875;43937.791015625;50499.82421875;23191.53125;11671.2548828125;0;0	0;0;31120.861328125;20215.091796875	0		
+BSA_min_23	MULTI	2	691.87196	1381.7294	691.87196	NaN	16	10	2		0.729372	0.0537767762689327	1.01557	691.872427270586	0.406	22.1	0	31	91			-1		0				0	NaN	33870	0;7598.06591796875;23095.935546875;15574.3466796875;17945.990234375;18301.7958984375;25754.3076171875;23125.53515625;15916.8828125;14170.3232421875;7741.6513671875;0	16710.921875;11356.798828125	0		
+BSA_min_23	MULTI	2	1177.5828	2353.151	1177.5828	NaN	11	6	2		0.150986	0.0285370454794247	2.21195	1178.08585963192	0.37	13.9	0	49	87			-1		0				0	NaN	46538	0;11669.9208984375;28614.43359375;25744.4228515625;24130.341796875;25307.376953125;20945.0229492188;0	0;17243.728515625;13207.12109375	1	70	2
+BSA_min_23	MULTI	6	384.98771	2303.8826	384.98771	NaN	5	3	2		0.882605	-0.217181403296308	1.51594	385.154726220853	0.514	7.21	0	75	95			-1		0				0	NaN	26457	0;11753.0673828125;10523.4365234375;8568.8720703125;0	6245.81005859375;8568.8720703125	0		
+BSA_min_23	MULTI	1	389.21213	388.20485	389.21213	NaN	19	13	2		0.204849	-0.0137255252419095	1.33672	389.212506114309	0.24	27.7	0	19	95			-1		0				0	NaN	67551	0;21162.751953125;18024.279296875;53808.48828125;52440.08203125;51071.67578125;29074.216796875;50962.8720703125;44968.1010742188;39503.4462890625;33521.2041015625;19159.7685546875;14809.7846679688;0;0	53808.48828125;8534.9951171875	0		
+BSA_min_23	MULTI	7	401.15621	2801.0425	401.15621	NaN	11	7	2		0.0425228	-0.285956722831543	2.21431	401.299140344645	0.578	13.8	0	65	99			-1		0				0	NaN	36821	0;7213.38037109375;6924.47998046875;17339.3579101563;16671.8857421875;19927.1689453125;23406.5014648438;4953.66796875;0	0;15112.5751953125;8411.234375	0		
+BSA_min_23	MULTI	1	403.23669	402.22941	403.23669	NaN	35	13	4		0.229413	0.00438707227596069	0.35927	403.236836789169	0.584	26.5	0	31	99			-1		0				0	NaN	2321700	0;6030.353515625;17721.548828125;69610.875;168147.896484375;317808.334960938;611832.715332031;819965.202148438;1075143.73242188;1810279.78125;1615521.4765625;2122466.39355469;2181724.74121094;2321029.74902344;0	2029285.375;262174.15625;33813.23828125;5109.6533203125	0		
+BSA_min_23	MULTI	4	401.17846	1600.6847	401.17846	NaN	10	5	3		0.68475	-0.0915651416978562	2.75146	401.430576715845	0.577	10.1	0	75	99			-1		0				0	NaN	30330	0;8036.89013671875;15778.0046386719;17976.7177734375;22688.4072265625;12592.4780273438;0	12885.599609375;14685.2685546875;5445.791015625	0		
+BSA_min_23	MULTI	4	402.89628	1607.556	402.89628	NaN	8	3	3		0.556	-0.223475525245249	3.68618	403.396190466784	0.562	6.09	0	87	99			-1		0				0	NaN	22550	0;12301.5610351563;20280.4633789063;19713.1943359375;0	7709.76416015625;7176.4248046875;8681.5791015625	0		
+BSA_min_23	MULTI	7	400.92339	2799.4128	400.92339	NaN	6	4	2		0.412765	0.0850350364034966	1.49668	401.066228643864	0.508	8.65	0	75	99			-1		0				0	NaN	19772	0;10774.8549804688;10669.7880859375;10592.1079101563;0;0	0;6560.57080078125;5920.392578125	0		
+BSA_min_23	MULTI	7	401.06242	2800.386	401.06242	NaN	7	4	2		0.385985	0.0578073576552924	4.11607	401.34933841669	0.554	8.25	0	81	99			-1		0				0	NaN	28917	0;9052.44580078125;11980.0087890625;15758.5649414063;5636.154296875;0	0;5726.7060546875;10177.55078125	0		
+BSA_min_23	MULTI	7	401.32993	2802.2586	401.32993	NaN	5	3	2		0.258602	-0.070436588821849	4.80518	401.473666101688	0.538	6.81	0	81	99			-1		0				0	NaN	24919	0;4266.560546875;13580.1821289063;9680.0693359375;0	0;8870.892578125;4709.28955078125	0		
+BSA_min_23	MULTI	7	402.11888	2807.7812	402.11888	NaN	7	6	2		0.781209	0.449629854355862	2.41731	402.26226660643	0.546	11.9	0	71	99			-1		0				0	NaN	92907	0;7378.68115234375;9870.67456054688;12362.66796875;27580.494140625;28377.28515625;9354.7265625;0	12009.3203125;27580.494140625	0		
+BSA_min_23	MULTI	7	402.8163	2812.6631	402.8163	NaN	4	2	2		0.663131	0.329306358474241	5.14754	403.103388667056	0.573	4.32	0	91	99			-1		0				0	NaN	32730	0;17836.4956054688;15650.0380859375;0	0;7563.5849609375;10866.2548828125	0		
+BSA_min_23	MULTI	7	402.92085	2813.395	402.92085	NaN	8	5	2		0.395034	0.0608722040187786	4.45544	403.207267635865	0.552	10.1	0	75	99			-1		0				0	NaN	31005	0;11911.7338867188;8329.57202148438;12590.5791015625;7692.32763671875;7590.80615234375;0	0;5942.84423828125;7692.32763671875	0		
+BSA_min_23	MULTI	7	403.11915	2814.7831	403.11915	NaN	9	6	2		0.783081	0.448280991787215	2.04564	403.405890636412	0.538	11.9	0	71	99			-1		0				0	NaN	33772	0;5547.240234375;13491.7041015625;14026.5288085938;18404.4853515625;6740.32470703125;7501.52880859375;0	0;8876.486328125;9527.9990234375	0		
+BSA_min_23	MULTI	6	401.24975	2401.4549	401.24975	NaN	8	5	2		0.454851	0.310181714510691	3.74124	401.416485569515	0.538	10.1	0	75	99			-1		0				0	NaN	32017	0;12730.2265625;12856.6352539063;18059.9614257813;9549.6162109375;10115.1318359375;0	5608.20263671875;12451.7587890625	0		
+BSA_min_23	MULTI	5	402.00076	2004.9674	402.00076	NaN	9	6	2		0.967394	0.00510852941874873	2.73663	402.202105085556	0.549	11.9	0	71	99			-1		0				0	NaN	30920	0;8339.640625;8783.228515625;16091.4462890625;17413.1408691406;13300.8940429688;7423.05322265625;0	8102.93994140625;10317.5537109375	0		
+BSA_min_23	MULTI	5	402.92094	2009.5683	402.92094	NaN	7	6	2		0.568307	-0.396094388064967	3.15996	403.122250481396	0.563	11.9	0	71	99			-1		0				0	NaN	43028	0;5841.408203125;6185.37866210938;6529.34912109375;18659.19140625;27583.0185546875;0;0	13594.1640625;13988.8544921875	0		
+BSA_min_23	MULTI	5	403.02698	2010.0985	403.02698	NaN	12	8	2		0.0985038	0.133858443363806	2.72631	403.228060270544	0.547	15.6	0	61	99			-1		0				0	NaN	36273	0;4848.15478515625;6479.13916015625;12284.7661132813;15645.5927734375;11646.07421875;23252.4360351563;8735.7490234375;5928.67236328125;0	8735.7490234375;15964.4345703125	0		
+BSA_min_23	MULTI	4	402.99746	1607.9607	402.99746	NaN	8	6	2		0.96073	0.18106757039186	4.22668	403.248404538997	0.565	11.9	0	71	99			-1		0				0	NaN	39628	0;7214.4462890625;9392.7978515625;15420.9384765625;20285.2978515625;9547.3564453125;13296.76953125;0	10525.4716796875;13296.76953125	0		
+BSA_min_23	MULTI	3	402.86177	1205.5635	402.86177	NaN	6	4	2		0.563492	-0.0310669300276913	5.2865	402.861988028917	0.562	8.25	0	81	99			-1		0				0	NaN	20777	0;5665.96142578125;17412.5073242188;14166.2313232422;9378.1455078125;0	9776.4140625;9378.1455078125	0		
+BSA_min_23	MULTI	2	402.19107	802.36759	402.19107	NaN	6	4	2		0.367593	-0.041496332196175	5.93199	402.192753188786	0.547	8.25	0	81	99			-1		0				0	NaN	18440	0;9011.4365234375;16771.8413085938;13178.0732421875;5401.3017578125;0	12396.9423828125;6625.8662109375	0		
+BSA_min_23	MULTI	2	403.1609	804.30724	403.1609	NaN	7	6	2		0.307242	-0.10273887485755	4.52193	403.159823769958	0.557	11.9	0	71	99			-1		0				0	NaN	17595	0;3488.80078125;5058.57861328125;5149.92407226563;9366.63623046875;16003.2814941406;0;0	12698.837890625;4125.36669921875	0		
+BSA_min_23	MULTI	1	402.22123	401.21395	402.22123	NaN	12	8	2		0.213954	-0.0106045150496925	2.49347	402.221328891168	0.485	15.6	0	61	99			-1		0				0	NaN	85877	0;7818.44189453125;50336.5234375;18964.7890625;83337.447265625;46349.7744140625;70621.8837890625;75382.7255859375;69995.28125;0	74508.875;12651.0361328125	0		
+BSA_min_23	MULTI	1	401.4224	400.41513	401.4224	NaN	5	4	2		0.415128	0.190936921834407	14.1666	401.426492729968	0.48	8.65	0	75	99			-1		0				0	NaN	12501	0;12131.3984375;10847.1962890625;5505.88012695313;0;0	7007.498046875;5123.900390625	0		
+BSA_min_23	MULTI	5	490.26452	2446.2862	490.26452	NaN	10	7	2		0.286237	0.120945775252494	2.29661	490.465050267897	0.386	14.9	0	55	95			-1		0				0	NaN	27387	0;8671.724609375;15205.0021972656;14708.3657226563;12072.4592285156;14308.3647460938;4608.23974609375;0;0	7911.5029296875;8671.724609375	0		
+BSA_min_23	MULTI	3	512.90491	1535.6929	512.90491	NaN	14	6	3		0.692911	-0.0535079655553545	0.640659	512.90495520209	0.485	11.9	0	71	99			-1		0				0	NaN	41232	0;22260.3510742188;27920.673828125;37267.6635742188;23510.40234375;23676.2021484375;16407.2314453125;0	22463.94140625;14630.0244140625;10136.443359375	0		
+BSA_min_23	MULTI	1	601.3923	600.38503	601.3923	NaN	10	8	2		0.385027	0.0688499996662131	0.610581	601.392079413081	0.48	15.6	0	61	99			-1		0				0	NaN	40613	0;8375.6396484375;7690.80419921875;11631.828125;38302.267578125;25084.1674804688;23988.134765625;14258.7177734375;11227.666015625;0	27861.8046875;10440.462890625	0		
+BSA_min_23	MULTI	2	671.30281	1340.5911	671.30281	NaN	23	11	3		0.591063	-0.0656088245955289	0.265924	671.302827415245	0.477	22.1	0	43	99			-1		0				0	NaN	185360	0;6208.3349609375;13889.2817382813;26824.0576171875;63842.6630859375;119772.876953125;142543.64453125;171336.408203125;95073.1813964844;71431.78125;64261.19921875;15928.3857421875;0	114559.140625;46502.0234375;14565.6328125	0		
+BSA_min_23	MULTI	3	681.99931	2042.9761	681.99931	NaN	19	10	3		0.976111	-0.00365819893545449	1.15217	682.33372034698	0.438	20.7	0	43	99			-1		0				0	NaN	46604	0;14329.3818359375;19031.8405761719;22111.3134765625;18194.498046875;29480.18359375;32937.4267578125;32460.1762695313;14736.0590820313;9588.93505859375;0;0	16454.376953125;18360.568359375;6774.29443359375	1	85	1
+BSA_min_23	MULTI	1	719.38446	718.37718	719.38446	NaN	24	10	3		0.377179	0.00672520916282338	0.452912	719.384208640922	0.443	19.9	0	49	99			-1		0				0	NaN	306150	0;20136.6884765625;44243.2080078125;107682.56640625;195943.474609375;302500.345703125;262942.01171875;216538.180175781;143034.7890625;103981.69140625;78078.486328125;0	223915.78125;60341.2421875;18243.322265625	0		
+BSA_min_23	MULTI	4	746.0815	2980.2969	746.0815	NaN	10	7	2		0.296901	-0.114035098797558	1.31968	746.332059822568	0.514	14.1	0	61	99			-1		0				0	NaN	76833	0;12502.8056640625;23172.9736328125;18913.9929199219;23919.0571289063;26965.5673828125;21866.44921875;0;0	0;21866.44921875;15830.384765625	0		
+BSA_min_23	MULTI	3	780.07483	2337.2026	780.07483	NaN	5	3	2		0.202649	0.0875359043247954	0.797394	780.074479197676	0.509	7.21	0	75	95			-1		0				0	NaN	50909	0;21881.0830078125;12373.2978515625;12771.9775390625;0	12771.9775390625;12525.220703125	0		
+BSA_min_23	MULTI	2	782.86823	1563.7219	782.86823	NaN	20	10	3		0.721914	-0.0373977738220219	0.711756	782.868353034362	0.459	19.9	0	49	99			-1		0				0	NaN	49668	0;6963.86669921875;6319.74853515625;25598.048828125;30333.59375;57430.474609375;44892.6865234375;35689.693359375;33875.2578125;21107.6284179688;8709.212890625;0	25024.1171875;20124.87109375;12553.91015625	1	79	0
+BSA_min_23	MULTI	4	385.92208	1539.6592	385.92208	NaN	5	4	2		0.659221	-0.0890221179247419	4.50724	385.922431777943	0.562	8.25	0	81	99			-1		0				0	NaN	16679	0;9756.16552734375;12167.0639648438;5856.87719726563;0;0	7023.37158203125;6570.06201171875	0		
+BSA_min_23	MULTI	2	542.31314	1082.6117	542.31314	NaN	7	5	2		0.611725	0.0737234033317691	0.599592	542.312962746134	0.556	10.1	0	75	99			-1		0				0	NaN	55111	0;13280.7685546875;28290.2578125;19233.314453125;29634.5625;9788.0546875;0	29634.5625;12601.22265625	0		
+BSA_min_23	MULTI	3	585.91889	1754.7349	585.91889	NaN	27	14	2		0.734851	-0.112326726837182	1.55389	585.9203897338	0.212	29.8	0	13	95			-1		0				0	NaN	151700	0;25634;52852.154296875;83165.453125;104819.77734375;94229.328125;85360.95703125;67605.142578125;74073.81640625;70187.9453125;54396.115234375;44267.357421875;24930.5283203125;16429.5017089844;5700.82763671875;0	57372.453125;47447.32421875	2	30;74	0;1
+BSA_min_23	MULTI	5	597.06614	2980.2943	597.06614	NaN	37	11	4		0.294342	-0.116593226468922	0.439878	597.467119541279	0.428	22.1	0	43	99			-1		0				0	NaN	102270	0;15203.76953125;39045.6840820313;34831.037109375;47712.4794921875;89038.7504882813;103514.08984375;85300.8828125;70284.630859375;67820.3115234375;46476.4638671875;48678.4375;0	23603.001953125;33373.6171875;34293.359375;21910.3046875	2	89;77	0;1
+BSA_min_23	MULTI	2	768.85448	1535.6944	768.85448	NaN	10	6	2		0.694416	-0.0520035153112985	1.01705	768.854136881374	0.505	11.9	0	71	99			-1		0				0	NaN	35211	0;14192.8012695313;25684.873046875;13888.736328125;26069.779296875;10745.3515625;7933.5927734375;0	15515.0625;11985.1630859375	0		
+BSA_min_23	MULTI	1	385.20738	384.20011	385.20738	NaN	37	15	3		0.200106	-0.0166256802388034	0.29144	385.207329724777	0.586	30.6	0	19	99			-1		0				0	NaN	9575900	0;11657.19921875;15900.880859375;28245.1328125;107153.426757813;302409.859375;779346.665039063;1693412.05078125;2696784.4296875;4119086.625;5272920.84375;7145315.5546875;7046838.5390625;8586651.765625;9072971.5234375;9544540.65625;0	8022851;1417089.75;107593.8984375	1	88	0
+BSA_min_23	MULTI	7	385.75384	2693.2259	385.75384	NaN	5	4	2		0.225935	-0.0529487858329958	3.30027	386.039959009918	0.527	8.65	0	75	99			-1		0				0	NaN	26231	0;7071.59814453125;6099.89965820313;13429.775390625;9196.80078125;0	0;7071.59814453125;9196.80078125	0		
+BSA_min_23	MULTI	4	384.21683	1532.8382	384.21683	NaN	9	8	2		0.838227	0.0931213672590729	3.49375	384.217540427167	0.538	15.6	0	61	99			-1		0				0	NaN	16955	0;4160.2138671875;4054.28234863281;3948.35083007813;5620.66296386719;11245.1120605469;12367.75390625;3952.4072265625;0;0	8085.4716796875;4282.2822265625	0		
+BSA_min_23	MULTI	4	385.97594	1539.8746	385.97594	NaN	6	5	2		0.87465	0.126307612300252	1.57775	385.976417803187	0.538	10.1	0	75	99			-1		0				0	NaN	22326	0;6725.22265625;8226.90576171875;16286.0625;13258.5166015625;0;0	9728.5888671875;6557.4736328125	0		
+BSA_min_23	MULTI	1	383.45736	382.45008	383.45736	NaN	12	9	2		0.450084	0.234156748824319	3.08825	383.459126094026	0.587	17.7	0	55	99			-1		0				0	NaN	58905	0;7922.33447265625;13891.3251953125;21659.68359375;25552.9453125;35771.8671875;41927.4106445313;48927.3310546875;51429.4038085938;44704.2890625;0	44704.2890625;12458.849609375	0		
+BSA_min_23	MULTI	1	385.23203	384.22475	385.23203	NaN	7	4	2		0.224753	0.00800936926827944	6.52779	385.233696134612	0.546	8.25	0	81	99			-1		0				0	NaN	30190	0;13759.9116210938;29297.6162109375;23439.3759765625;15093.2724609375;0	22477.578125;11049.3857421875	0		
+BSA_min_23	MULTI	3	385.24173	1152.7034	385.24173	NaN	4	2	2		0.703375	0.133131265167549	6.58386	385.243392638674	0.563	4.65	0	87	99			-1		0				0	NaN	12273	0;9589.8193359375;10410.1459960938;0	5654.27490234375;4755.87109375	0		
+BSA_min_23	MULTI	2	388.71207	775.40958	388.71207	NaN	7	5	2		0.409585	0.012896161074309	6.29936	388.710022572438	0.529	10.1	0	75	99			-1		0				0	NaN	31411	0;10747.0166015625;11899.037109375;28569.4326171875;16597.3823242188;5571.826171875;0	18849.771484375;11899.037109375	0		
+BSA_min_23	MULTI	3	447.53645	1339.5875	447.53645	NaN	22	9	3		0.587521	-0.0686896803804302	0.352434	447.870732206838	0.433	17.7	0	55	99			-1		0				0	NaN	114780	0;11778.837890625;23139.6025390625;68825.0380859375;106095.923828125;80380.0849609375;63801.41015625;49980.5732421875;27040.2021484375;23807.8686523438;0	44272.734375;47092.73046875;18533.521484375	1	76	0
+BSA_min_23	MULTI	2	457.74565	913.47674	457.74565	NaN	18	12	2		0.476739	0.0165401212738061	1.02456	457.745456355006	0.455	24.3	0	37	99			-1		0				0	NaN	61894	0;16990.962890625;11575.6730957031;6160.38330078125;14041.025390625;32656.8212890625;44786.1005859375;54716.6572265625;55345.2353515625;39040.4921875;30755.6171875;35660.9853515625;0;0	43414.70703125;14701.8232421875	1	72	0
+BSA_min_23	MULTI	3	462.60021	1384.7788	462.60021	NaN	18	8	3		0.778798	0.101799265189584	0.743531	462.600287415821	0.502	15.6	0	61	99			-1		0				0	NaN	51167	0;6723.0703125;14707.15234375;44316.7954101563;47067.97265625;31669.6943359375;37648.8586425781;18663.072265625;11027.34765625;0	28348.189453125;13768.9619140625;8396.4033203125	0		
+BSA_min_23	MULTI	2	563.26189	1124.5092	563.26189	NaN	8	6	2		0.509219	-0.048055714837119	1.11911	563.2619173678	0.578	11.9	0	71	99			-1		0				0	NaN	94315	0;6031.1220703125;5922.5673828125;10690.8017578125;26746.5986328125;36209.8569335938;50716.08203125;0	50716.08203125;11821.5556640625	0		
+BSA_min_23	MULTI	2	579.81291	1157.6113	579.81291	NaN	15	10	2		0.611276	0.0387743236285587	0.779345	579.813073677107	0.487	19.9	0	49	99			-1		0				0	NaN	32344	0;9380.30078125;13280.5703125;23935.1513671875;30521.7163085938;32431.77734375;29503.3984375;27435.1259765625;27750.8271484375;9707.3671875;0;0	21680.880859375;13781.01171875	0		
+BSA_min_23	MULTI	2	652.34009	1302.6656	652.34009	NaN	9	6	2		0.665623	0.0263969594609534	2.23005	652.340079597454	0.581	11.9	0	71	99			-1		0				0	NaN	44381	0;10470.1201171875;11684.9853515625;15042.0661621094;13498.8081054688;13972.59375;21285.896484375;0	21285.896484375;7438.31591796875	0		
+BSA_min_23	MULTI	3	717.29132	2148.8521	717.29132	NaN	37	10	4		0.852144	-0.17632784156649	0.491079	717.626027067929	0.408	19.9	0	49	99			-1		0				0	NaN	124890	0;22026.4995117188;58904.9892578125;117250.48828125;111492.02734375;105174.046875;101062.998046875;66927.7299804688;66607.2495117188;57809.5278320313;33717.2485351563;0	41750.08203125;50854.88671875;28232.26953125;14484.546875	0		
+BSA_min_23	MULTI	1	1177.4703	1176.463	1177.4703	NaN	21	7	4		0.46301	-0.11816306946821	0.659516	1177.47052434449	0.565	13.8	0	65	99			-1		0				0	NaN	194160	0;13462.1650390625;32176.0517578125;66198.634765625;131971.93359375;159141.436035156;185189;148912.65625;0	107823.8203125;52374.53515625;18917.345703125;8828.58984375	1	64	0
+BSA_min_23	MULTI	6	386.12901	2310.7304	386.12901	NaN	4	2	2		0.730426	-0.372510238455106	3.65469	386.296780260594	0.587	4.32	0	91	99			-1		0				0	NaN	19777	0;10667.537109375;11550.3544921875;0	5064.693359375;6485.6611328125	0		
+BSA_min_23	MULTI	1	386.96864	385.96136	386.96864	NaN	14	9	2		0.961364	-0.256178016890544	2.86857	386.967525717104	0.583	17.7	0	55	99			-1		0				0	NaN	51347	0;9129.955078125;11279.533203125;17809.572265625;24097.126953125;38355.6108398438;37379.2407226563;44880.3442382813;50983.2099609375;49828.7939453125;0	43493.59375;7938.8740234375	0		
+BSA_min_23	MULTI	1	400.36713	399.35985	400.36713	NaN	16	10	2		0.359851	0.13614547589458	3.07832	400.36842042818	0.545	19.9	0	49	99			-1		0				0	NaN	78981	0;6156.287109375;12610.8056640625;16443.66796875;23166.564453125;37680.8334960938;69988.2421875;53991.6904296875;70495.287109375;76645.5185546875;74495.6787109375;0	65472.671875;17471.0625	0		
+BSA_min_23	MULTI	1	404.11303	403.10576	404.11303	NaN	16	9	2		0.105755	-0.119673584350551	2.86243	404.112031977038	0.583	17.7	0	55	99			-1		0				0	NaN	73469	0;13006.03125;21763.5092773438;30782.12109375;35696.5864257813;59794.9663085938;50389.5703125;69722.490234375;68714.9921875;61997.74609375;0	61997.74609375;9892.08203125	0		
+BSA_min_23	MULTI	4	404.71106	1614.8151	404.71106	NaN	9	6	3		0.815121	0.0323063764612925	2.55922	404.961654054633	0.563	11.9	0	71	99			-1		0				0	NaN	25241	0;4944.00830078125;6799.6796875;5417;4034.3203125;22700.7153320313;8152.65185546875;0	6979.7197265625;10225.2548828125;5495.74072265625	0		
+BSA_min_23	MULTI	1	407.18875	406.18148	407.18875	NaN	20	11	2		0.181478	-0.0453659359286576	0.288978	407.188715543559	0.584	22.1	0	43	99			-1		0				0	NaN	642000	0;17962.044921875;35146.93359375;84014.6728515625;164382.13671875;213186.013671875;281743.64453125;460699.13671875;382160.26171875;582140.4375;598221.859375;623018.8046875;0	552387.5;82688.296875	0		
+BSA_min_23	MULTI	1	409.16481	408.15753	409.16481	NaN	15	9	2		0.157529	-0.070223412814812	0.370596	409.16476678495	0.587	17.7	0	55	99			-1		0				0	NaN	75670	0;9252.28515625;15363.6455078125;23755.17578125;37450.3813476563;43413.0048828125;48971.9326171875;67545.9711914063;69471.3178710938;73432.4873046875;0	63752.5546875;9679.9326171875	0		
+BSA_min_23	MULTI	2	419.2215	836.42844	419.2215	NaN	11	4	3		0.428439	0.0036820444810246	0.330334	419.22139467134	0.587	8.25	0	81	99			-1		0				0	NaN	768320	0;91299.93359375;241800.627929688;525219.90234375;753920.94140625;0	491425.375;219808.3125;42687.25390625	1	96	0
+BSA_min_23	MULTI	3	419.9065	1256.6977	419.9065	NaN	25	14	2		0.697683	0.0796025383165215	0.612301	419.9067499241	0.328	28.5	0	25	99			-1		0				0	NaN	57554	0;14390.53125;23922.302734375;24165.12890625;45028.5078125;31505.6552734375;47511.521484375;47811.853515625;28987.4296875;45375.6123046875;36277.5;25384.6372070313;30183.11328125;34972.8203125;22686.951171875;0	34948.3046875;22547.62890625	0		
+BSA_min_23	MULTI	1	423.16235	422.15508	423.16235	NaN	28	11	3		0.155077	-0.0791138776144749	0.947785	423.162659610462	0.485	22.1	0	43	99			-1		0				0	NaN	525600	0;16769.75390625;35723.69140625;86788.763671875;151599.174804688;197071.871582031;238849.682617188;523878.314453125;329544.247070313;437148.26953125;456630.658203125;478603.056640625;0	439978.71875;62870.30859375;27823.416015625	0		
+BSA_min_23	MULTI	1	423.15399	422.14671	423.15399	NaN	12	8	2		0.14671	-0.0874772228673919	0.219266	423.15400484274	0.578	15.6	0	61	99			-1		0				0	NaN	56980	0;10974.43359375;11466.44140625;17695.392578125;29738.080078125;42405.1352539063;49777.7587890625;52918.2924804688;55294.6079101563;0	49874.32421875;6935.59619140625	0		
+BSA_min_23	MULTI	1	438.12074	437.11346	438.12074	NaN	14	7	2		0.113465	-0.127607350821677	4.07882	438.11835276147	0.563	13.8	0	65	99			-1		0				0	NaN	49183	0;12628.0346679688;18828.69140625;25120.1083984375;28692.1123046875;39040.9453125;47403.76953125;43417.169921875;0	25243.626953125;22160.142578125	0		
+BSA_min_23	MULTI	2	472.23519	942.45582	472.23519	NaN	13	7	2		0.455821	-0.01770892971183	0.716105	472.235066999616	0.489	13.8	0	65	99			-1		0				0	NaN	56353	0;15947.7456054688;22278.6396484375;49859.734375;37677.9208984375;41839.669921875;29963.1635742188;33816.36328125;0	37885.62109375;14462.3369140625	0		
+BSA_min_23	MULTI	2	536.75864	1071.5027	536.75864	NaN	7	4	2		0.502733	-0.0301585950960543	2.18139	537.260567742501	0.538	8.25	0	81	99			-1		0				0	NaN	20734	0;10059.73046875;17937.884765625;15345.3635253906;6743.6416015625;0	8550.685546875;9387.19921875	0		
+BSA_min_23	MULTI	1	540.2454	539.23812	540.2454	NaN	13	7	2		0.238123	-0.0499263233698457	0.488357	540.24532444786	0.534	13.8	0	65	99			-1		0				0	NaN	54847	0;19292.154296875;33630.6376953125;45071.564453125;42212.9580078125;52232.3701171875;38198.8251953125;16618.658203125;0	42008.1484375;10444.9345703125	0		
+BSA_min_23	MULTI	3	554.21555	1659.6248	554.21555	NaN	5	3	2		0.624827	-0.178600502911195	2.28536	554.215830630924	0.563	6.09	0	87	99			-1		0				0	NaN	29237	0;5868.830078125;20817.412109375;14182.5805664063;0	13458.6064453125;7358.8056640625	0		
+BSA_min_23	MULTI	1	555.36421	554.35693	555.36421	NaN	11	6	2		0.356931	0.0619270308284285	0.437812	555.364097382042	0.545	11.9	0	71	99			-1		0				0	NaN	91371	0;11953.4111328125;56464.546875;61339.1220703125;87016.013671875;81907.529296875;69299.189453125;0	66361.0859375;22625.541015625	0		
+BSA_min_23	MULTI	2	557.78935	1113.5641	557.78935	NaN	6	4	2		0.564147	0.0119075165016511	2.24288	557.790434802409	0.587	8.25	0	81	99			-1		0				0	NaN	16272	0;5989.40087890625;6732.34521484375;11646.4931640625;13934.3364257813;0	7986.845703125;5947.49072265625	0		
+BSA_min_23	MULTI	2	559.76878	1117.523	559.76878	NaN	23	12	2		0.523015	-0.0310453934680481	0.398284	559.768803208661	0.515	24.3	0	37	99			-1		0				0	NaN	67211	0;30329.0063476563;50724.841796875;38037.4775390625;23608.0405273438;19378.5034179688;16818.5107421875;26791.890625;53347.1015625;57557.26953125;40855.7099609375;44248.58984375;6340.10107421875;0	37219.31640625;20337.953125	1	83	0
+BSA_min_23	MULTI	2	582.76086	1163.5072	582.76086	NaN	8	4	2		0.507164	-0.0680497736839243	0.442183	582.760715553871	0.587	8.25	0	81	99			-1		0				0	NaN	108980	0;29966.9487304688;59326.3994140625;83047.06640625;92434.69921875;0	60649.01953125;31785.6796875	1	92	0
+BSA_min_23	MULTI	2	602.33276	1202.651	602.33276	NaN	7	6	2		0.650966	0.0577468625917845	1.59309	602.333558802656	0.548	11.9	0	71	99			-1		0				0	NaN	19364	0;5811.33935546875;6557.4794921875;7303.61962890625;9868.7724609375;15106.3935546875;5047.06591796875;0	9868.7724609375;6315.080078125	0		
+BSA_min_23	MULTI	2	609.30165	1216.5887	609.30165	NaN	5	3	2		0.588746	-0.010884807340517	3.26112	609.801905531048	0.578	6.09	0	87	99			-1		0				0	NaN	18519	0;6848.39208984375;14504.1098632813;15519.5483398438;0	5654.28662109375;10022.16015625	0		
+BSA_min_23	MULTI	2	626.82568	1251.6368	626.82568	NaN	8	5	2		0.636813	0.0210605159502393	0.950782	627.327160354538	0.556	10.1	0	75	99			-1		0				0	NaN	20467	0;7513.7216796875;15837.8994140625;13457.0910644531;10665.5668945313;6652.02783203125;0	7548.9072265625;10244.0595703125	0		
+BSA_min_23	MULTI	3	635.60201	1903.7842	635.60201	NaN	11	4	3		0.784211	-0.131529739430107	0.651967	635.601854227925	0.587	8.25	0	81	99			-1		0				0	NaN	109400	0;11539.9194335938;49907.1435546875;64455.1904296875;94715.8671875;0	41372.8828125;37360.796875;15982.1875	1	93	0
+BSA_min_23	MULTI	2	722.29286	1442.5712	722.29286	NaN	11	4	3		0.571176	-0.132406498940327	0.598795	722.794557009268	0.587	8.25	0	81	99			-1		0				0	NaN	88555	0;19382.1572265625;29263.3842773438;56304.751953125;72047.59765625;0	31798.40625;40249.19140625;9051.69140625	2	94;97	0;0
+BSA_min_23	MULTI	2	731.29826	1460.582	731.29826	NaN	9	5	2		0.581963	-0.129905034647663	0.949227	731.799523381077	0.526	10.1	0	75	99			-1		0				0	NaN	29169	0;10700.2763671875;21935.4814453125;17981.1000976563;13056.220703125;17802.30078125;0	11073.208984375;11301.125	1	90	0
+BSA_min_23	MULTI	2	772.82766	1543.6408	772.82766	NaN	5	3	2		0.640772	-0.109302619518758	1.14656	772.827340413045	0.587	6.09	0	87	99			-1		0				0	NaN	33423	0;6804.890625;12703.8696289063;24380.708984375;0	15360.51953125;9020.189453125	0		
+BSA_min_23	MULTI	3	776.67069	2326.9902	776.67069	NaN	7	3	3		0.990245	-0.120170237694765	1.89326	777.004331643663	0.571	6.09	0	87	99			-1		0				0	NaN	37194	0;6977.5546875;29906.751953125;25277;0	9063.5791015625;14645.7783203125;12678.326171875	0		
+BSA_min_23	MULTI	1	837.43637	836.42909	837.43637	NaN	7	4	2		0.429093	0.0043357496634826	1.1693	837.436103089852	0.587	8.25	0	81	99			-1		0				0	NaN	73009	0;8795.1123046875;28166.4892578125;33590.7690429688;65961.154296875;0	53311.69140625;12649.462890625	0		
+BSA_min_23	MULTI	2	882.84611	1763.6777	882.84611	NaN	12	7	3		0.677665	-0.17362702288824	0.463077	882.846072087715	0.563	13.8	0	65	99			-1		0				0	NaN	1179300	0;10685.890625;57645.44140625;185231.5625;292455.5625;750275.78125;1040647.75;871335.640625;0	494015.65625;379948.71875;166683.375	1	100	0
+BSA_min_23	MULTI	2	886.81224	1771.6099	886.81224	NaN	8	5	2		0.609919	-0.245021216350096	1.46251	887.31412154531	0.576	10.1	0	75	99			-1		0				0	NaN	29012	0;5249.1533203125;6298.3564453125;13226.2900390625;17856.4375;20045.5546875;0	8890.65234375;11784.896484375	0		
+BSA_min_23	MULTI	1	899.44874	898.44146	899.44874	NaN	10	6	2		0.441463	-0.0118196933137824	0.501834	899.44868329937	0.563	11.9	0	71	99			-1		0				0	NaN	93356	0;10259.021484375;11104.9755859375;38988.1611328125;51494.2109375;83477.83203125;72926.943359375;0	61125.3359375;22352.49609375	0		
+BSA_min_23	MULTI	2	973.90466	1945.7948	973.90466	NaN	7	4	2		0.794757	-0.14030840214582	1.22045	973.904958275679	0.587	8.25	0	81	99			-1		0				0	NaN	67032	0;22343.408203125;30602.4375;39709.193359375;30783.283203125;0	30783.283203125;12774.3359375	0		
+BSA_min_23	MULTI	1	1012.4647	1011.4574	1012.4647	NaN	10	6	2		0.457396	-0.0478741148867812	0.638009	1012.46465963589	0.58	11.9	0	71	99			-1		0				0	NaN	45315	0;6566.83447265625;5892.9794921875;22179.6865234375;26302.4379882813;35693.482421875;39795.4755859375;0	31461.541015625;12683.193359375	0		
+BSA_min_23	MULTI	2	1044.9323	2087.8501	1044.9323	NaN	6	4	2		0.850137	-0.150273671131799	1.9368	1045.43259299012	0.587	8.25	0	81	99			-1		0				0	NaN	22292	0;6181.01806640625;6017.2158203125;11961.13671875;13880.3842773438;0	6740.865234375;7139.51904296875	0		
+BSA_min_23	MULTI	1	1164.5167	1163.5094	1164.5167	NaN	6	4	2		0.50944	-0.065774688654983	0.737118	1164.51651446826	0.569	8.25	0	81	99			-1		0				0	NaN	30247	0;5882.703125;19118.6171875;25656.2758789063;16791.0786132813;0	19902.078125;6989.12060546875	0		
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/01/combined/txt/evidence.txt
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/01/combined/txt/evidence.txt	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,9 @@
+Sequence	Length	Modifications	Modified sequence	Oxidation (M) Probabilities	Oxidation (M) Score Diffs	Oxidation (M)	Missed cleavages	Proteins	Leading proteins	Leading razor protein	Type	Raw file	Experiment	MS/MS m/z	Charge	m/z	Mass	Resolution	Uncalibrated - Calibrated m/z [ppm]	Uncalibrated - Calibrated m/z [Da]	Mass error [ppm]	Mass error [Da]	Uncalibrated mass error [ppm]	Uncalibrated mass error [Da]	Max intensity m/z 0	Retention time	Retention length	Calibrated retention time	Calibrated retention time start	Calibrated retention time finish	Retention time calibration	Match time difference	Match m/z difference	Match q-value	Match score	Number of data points	Number of scans	Number of isotopic peaks	PIF	Fraction of total spectrum	Base peak fraction	PEP	MS/MS count	MS/MS scan number	Score	Delta score	Combinatorics	Intensity	Reporter PIF	Reporter fraction	Reverse	Potential contaminant	id	Protein group IDs	Peptide ID	Mod. peptide ID	MS/MS IDs	Best MS/MS	Oxidation (M) site IDs
+DSFDIIK	7	Unmodified	_DSFDIIK_			0	0	CON__ENSEMBL:ENSBTAP00000016046	CON__ENSEMBL:ENSBTAP00000016046	CON__ENSEMBL:ENSBTAP00000016046	MULTI-MSMS	BSA_min_23	BSA_min_23.mzXML	419.221313476563	2	419.221268	836.427984	NaN	0	0	0.54276	0.00022754	0.54276	0.00022754	419.22139467134	0.58669	0.13742	0.58669	0.46121	0.59862	0					11	4	3	0	0	0	8.9583E-05	1	96	0	0	1	768320				+	0	2	0	0	0	0	
+LLESEECR	8	Unmodified	_LLESEECR_			0	0	CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5	CON__Q14CN4-1	CON__Q14CN4-1	MSMS	BSA_min_23	BSA_min_23.mzXML	518.238220214844	2	518.242406	1034.47026	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	0.50957	1	0.50957	0.0095717	1.0096	0								0	0	0	0.010121	1	86	1.6313	1.6313	1					+	1	6	1	1	1	1	
+LVTDLTK	7	Unmodified	_LVTDLTK_			0	0	CON__P02769;bsa;CON__P02768-1	CON__P02769	CON__P02769	MSMS	BSA_min_23	BSA_min_23.mzXML	395.239288330078	2	395.239461	788.46437	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	0.010013	1	0.010013	-0.48999	0.51001	0								0	0	0	0.005963	1	2	0	0	1					+	2	0	2	2	2	2	
+QLELEKQLEK	10	Unmodified	_QLELEKQLEK_			0	1	CON__ENSEMBL:ENSBTAP00000001528	CON__ENSEMBL:ENSBTAP00000001528	CON__ENSEMBL:ENSBTAP00000001528	MULTI-MSMS	BSA_min_23	BSA_min_23.mzXML	629.358581542969	2	629.356085	1256.69762	NaN	0	0	0.76901	0.00048398	0.76901	0.00048398	629.356557471474	0.3521	0.47559	0.3521	0.12303	0.59862	0					33	14	3	0	0	0	0.0003393	2	52	0	0	1	84871				+	3	1	3	3	3;4	3	
+QLELEKQLEK	10	Unmodified	_QLELEKQLEK_			0	1	CON__ENSEMBL:ENSBTAP00000001528	CON__ENSEMBL:ENSBTAP00000001528	CON__ENSEMBL:ENSBTAP00000001528	MULTI-SECPEP	BSA_min_23	BSA_min_23.mzXML	419.221313476563	3	419.906482	1256.69762	NaN	0	0	0.052788	2.2166E-05	0.052788	2.2166E-05	419.9067499241	0.32847	0.47559	0.32847	0.12303	0.59862	0					25	14	2	0	0	0	0.015457	1	96	0	0	1	57554				+	4	1	3	3	5	5	
+SLSAIRER	8	Unmodified	_SLSAIRER_			0	1	CON__Q03247	CON__Q03247	CON__Q03247	MULTI-SECPEP	BSA_min_23	BSA_min_23.mzXML	465.766693115234	2	466.269616	930.524678	NaN	0	0	-3.0904	-0.0014409	-3.0904	-0.0014409	466.26850803291	0.10674	0.17216	0.10674	-0.014552	0.15761	0					6	4	2	0	0	0	0.015457	1	17	0	0	1	33499				+	5	5	4	4	6	6	
+SQTSHRGYSASSAR	14	Unmodified	_SQTSHRGYSASSAR_			0	1	CON__P50446	CON__P50446	CON__P50446	MULTI-MSMS	BSA_min_23	BSA_min_23.mzXML	747.855651855469	2	747.855835	1493.69712	NaN	0	0	0.34543	0.00025833	0.34543	0.00025833	747.856213318885	0.29902	0.26735	0.29902	0.19386	0.46121	0					11	7	2	0	0	0	0.0091697	1	53	0	0	1	59701				+	6	4	5	5	7	7	
+TLGPWGQR	8	Unmodified	_TLGPWGQR_			0	0	CON__ENSEMBL:ENSBTAP00000018574	CON__ENSEMBL:ENSBTAP00000018574	CON__ENSEMBL:ENSBTAP00000018574	MULTI-MSMS	BSA_min_23	BSA_min_23.mzXML	457.746032714844	2	457.745776	913.477	NaN	0	0	-0.28456	-0.00013026	-0.28456	-0.00013026	457.745456355006	0.4547	0.40477	0.4547	0.19386	0.59862	-5.5511E-17					18	12	2	0	0	0	0.00018307	1	72	0	0	1	61894				+	7	3	6	6	8	8	
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/01/combined/txt/modificationSpecificPeptides.txt
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/01/combined/txt/modificationSpecificPeptides.txt	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,8 @@
+Sequence	Modifications	Mass	Mass Fractional Part	Protein Groups	Proteins	Unique (Groups)	Unique (Proteins)	Oxidation (M)	Missed cleavages	Experiment BSA_min_23.mzXML	Retention time	Calibrated retention time	Charges	PEP	MS/MS scan number	Raw file	Score	Delta score	Reverse	Potential contaminant	Intensity	Intensity BSA_min_23.mzXML	id	Protein group IDs	Peptide ID	Evidence IDs	MS/MS IDs	Best MS/MS	Oxidation (M) site IDs	MS/MS Count
+DSFDIIK	Unmodified	836.42798	0.42798405	2	CON__ENSEMBL:ENSBTAP00000016046	yes	yes	0	0	1	0.58669	0.58669	2	8.9583E-05	96	BSA_min_23	0	0		+	768320	768320	0	2	0	0	0	0		1
+LLESEECR	Unmodified	1034.4703	0.47025958	6	CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5	yes	no	0	0	1	0.50957	0.50957	2	0.010121	86	BSA_min_23	1.6313	1.6313		+	0	0	1	6	1	1	1	1		1
+LVTDLTK	Unmodified	788.46437	0.46436956	0	CON__P02769;bsa;CON__P02768-1	yes	no	0	0	1	0.010013	0.010013	2	0.005963	2	BSA_min_23	0	0		+	0	0	2	0	2	2	2	2		1
+QLELEKQLEK	Unmodified	1256.6976	0.69761697	1	CON__ENSEMBL:ENSBTAP00000001528	yes	yes	0	1	2	0.34029	0.34029	2;3	0.0003393	52	BSA_min_23	0	0		+	142430	142430	3	1	3	3;4	3;4;5	3		2
+SLSAIRER	Unmodified	930.52468	0.52467841	5	CON__Q03247	yes	yes	0	1	1	0.10674	0.10674	2	0.015457	17	BSA_min_23	0	0		+	33499	33499	4	5	4	5	6	6		0
+SQTSHRGYSASSAR	Unmodified	1493.6971	0.69711648	4	CON__P50446	yes	yes	0	1	1	0.29902	0.29902	2	0.0091697	53	BSA_min_23	0	0		+	59701	59701	5	4	5	6	7	7		1
+TLGPWGQR	Unmodified	913.477	0.47699993	3	CON__ENSEMBL:ENSBTAP00000018574	yes	yes	0	0	1	0.4547	0.4547	2	0.00018307	72	BSA_min_23	0	0		+	61894	61894	6	3	6	7	8	8		1
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/01/combined/txt/msms.txt
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/01/combined/txt/msms.txt	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,10 @@
+Raw file	Scan number	Scan index	Sequence	Length	Missed cleavages	Modifications	Modified sequence	Oxidation (M) Probabilities	Oxidation (M) Score diffs	Oxidation (M)	Proteins	Charge	Fragmentation	Mass analyzer	Type	Scan event number	Isotope index	m/z	Mass	Mass error [ppm]	Mass error [Da]	Simple mass error [ppm]	Retention time	PEP	Score	Delta score	Score diff	Localization prob	Combinatorics	PIF	Fraction of total spectrum	Base peak fraction	Precursor full scan number	Precursor Intensity	Precursor apex fraction	Precursor apex offset	Precursor apex offset time	Matches	Intensities	Mass deviations [Da]	Mass deviations [ppm]	Masses	Number of matches	Intensity coverage	Peak coverage	Neutral loss level	ETD identification type	Reverse	All scores	All sequences	All modified sequences	Reporter PIF	Reporter fraction	id	Protein group IDs	Peptide ID	Mod. peptide ID	Evidence ID	Oxidation (M) site IDs
+BSA_min_23	96	77	DSFDIIK	7	0	Unmodified	_DSFDIIK_			0	CON__ENSEMBL:ENSBTAP00000016046	2	CID	FTMS	MULTI-MSMS	1	0	419.22127	836.42798	0.54276	0.00022754	NaN	0.57043	8.9583E-05	0	0	NaN	NaN	1	0	0	0	95	346270.625	0.704625040984097	-1	0.0243583333333334						0	0	0	None	Unknown		0	DSFDIIK	_DSFDIIK_			0	2	0	0	0	
+BSA_min_23	86	70	LLESEECR	8	0	Unmodified	_LLESEECR_			0	CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5	2	CID	FTMS	MSMS	5		518.24241	1034.4703	NaN	NaN	NaN	0.50957	0.010121	1.6313	1.6313	NaN	NaN	1	0	0	0	81	10271.2001953125	1	0	0	y6	10	0.0135096433999706	16.6930827476743	809.2958984375	1	0.00309955136349784	0.00847457627118644	None	Unknown		1.63126590808724;0;0	LLESEECR;LGSDMEDLR;QLNQEMEK	_LLESEECR_;_LGSDMEDLR_;_QLNQEM(Oxidation (M))EK_			1	6	1	1	1	
+BSA_min_23	2	0	LVTDLTK	7	0	Unmodified	_LVTDLTK_			0	CON__P02769;bsa;CON__P02768-1	2	CID	FTMS	MSMS	1		395.23946	788.46437	NaN	NaN	NaN	0.010013	0.005963	0	0	NaN	NaN	1	0	0	0	-1	NaN	NaN	0	NaN						0	0	0	None	Unknown		0;0	LVTDLTK;DSLLTLK	_LVTDLTK_;_DSLLTLK_			2	0	2	2	2	
+BSA_min_23	52	42	QLELEKQLEK	10	1	Unmodified	_QLELEKQLEK_			0	CON__ENSEMBL:ENSBTAP00000001528	2	CID	FTMS	MULTI-MSMS	3	0	629.35608	1256.6976	0.76901	0.00048398	NaN	0.30417	0.0003393	0	0	NaN	NaN	1	0	0	0	49	47581.3515625	1	0	0						0	0	0	None	Unknown		0	QLELEKQLEK	_QLELEKQLEK_			3	1	3	3	3	
+BSA_min_23	82	66	QLELEKQLEK	10	1	Unmodified	_QLELEKQLEK_			0	CON__ENSEMBL:ENSBTAP00000001528	2	CID	FTMS	MULTI-MSMS	1	1	629.35608	1256.6976	0.76901	0.00048398	NaN	0.48722	0.0003393	0	0	NaN	NaN	1	0	0	0	81	28788.931640625	1	0	0						0	0	0	None	Unknown		0	QLELEKQLEK	_QLELEKQLEK_			4	1	3	3	3	
+BSA_min_23	96	77	QLELEKQLEK	10	1	Unmodified	_QLELEKQLEK_			0	CON__ENSEMBL:ENSBTAP00000001528	3	CID	FTMS	MULTI-SECPEP	1	-2	419.90648	1256.6976	0.052788	2.2166E-05	NaN	0.57043	0.015457	0	0	NaN	NaN	1	0	0	0	95	346270.625	0.704625040984097	-1	0.0243583333333334						0	0	0	None	Unknown		0	QLELEKQLEK	_QLELEKQLEK_			5	1	3	3	4	
+BSA_min_23	17	13	SLSAIRER	8	1	Unmodified	_SLSAIRER_			0	CON__Q03247	2	CID	FTMS	MULTI-SECPEP	4	-1	466.26962	930.52468	-3.0904	-0.0014409	NaN	0.096553	0.015457	0	0	NaN	NaN	1	0	0	0	-1	NaN	NaN	0	NaN						0	0	0	None	Unknown		0	SLSAIRER	_SLSAIRER_			6	5	4	4	5	
+BSA_min_23	53	43	SQTSHRGYSASSAR	14	1	Unmodified	_SQTSHRGYSASSAR_			0	CON__P50446	2	CID	FTMS	MULTI-MSMS	4	0	747.85583	1493.6971	0.34543	0.00025833	NaN	0.30942	0.0091697	0	0	NaN	NaN	1	0	0	0	49	27482.5703125	1	0	0						0	0	0	None	Unknown		0;0	SQTSHRGYSASSAR;GLIDEVDQDFTSR	_SQTSHRGYSASSAR_;_GLIDEVDQDFTSR_			7	4	5	5	6	
+BSA_min_23	72	58	TLGPWGQR	8	0	Unmodified	_TLGPWGQR_			0	CON__ENSEMBL:ENSBTAP00000018574	2	CID	FTMS	MULTI-MSMS	1	0	457.74578	913.477	-0.28456	-0.00013026	NaN	0.42593	0.00018307	0	0	NaN	NaN	1	0	0	0	71	32936.3203125	0.758644306612328	-2	0.0615566666666666						0	0	0	None	Unknown		0;0	TLGPWGQR;IHVFNER	_TLGPWGQR_;_IHVFNER_			8	3	6	6	7	
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/01/combined/txt/msmsScans.txt
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/01/combined/txt/msmsScans.txt	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,82 @@
+Raw file	Scan number	Retention time	Ion injection time	Total ion current	Collision energy	Summations	Base peak intensity	Elapsed time	Identified	Matched	Reverse	MS/MS IDs	Sequence	Length	Filtered peaks	m/z	Mass	Charge	Type	Fragmentation	Mass analyzer	Parent intensity fraction	Fraction of total spectrum	Base peak fraction	Precursor full scan number	Precursor intensity	Precursor apex fraction	Precursor apex offset	Precursor apex offset time	Scan event number	Modifications	Modified sequence	Proteins	Score	PEP	Experiment	Reporter PIF	Reporter fraction	Intens Comp Factor	CTCD Comp	RawOvFtT	AGC Fill	Scan index	MS scan index	MS scan number
+BSA_min_23	2	0.010013	-1	35863	35	0	15154	-1	+			2	LVTDLTK	7	103	395.239288330078	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	1	Unmodified	_LVTDLTK_	bsa;CON__P02768-1;CON__P02769	0	1	BSA_min_23.mzXML			NaN	NaN	NaN	0	0	0	1
+BSA_min_23	3	0.01458	-1	30585	35	0	3755	-1	-		+	-1	EHGLGSSHGSGSEYPR	16	164	552.918823242188	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	2	Unmodified	_EHGLGSSHGSGSEYPR_	REV__CON__Q86YZ3;REV__CON__Q86YZ3;REV__CON__Q86YZ3	0	1	BSA_min_23.mzXML			NaN	NaN	NaN	0	1	0	1
+BSA_min_23	4	0.020265	-1	11886	35	0	5306.3	-1	-		+	-1	IKNLDEITLHR	11	126	676.387463660037	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	3	Unmodified	_IKNLDEITLHR_	REV__CON__Q148H6;REV__CON__Q7Z3Y7	0	1	BSA_min_23.mzXML			NaN	NaN	NaN	0	2	0	1
+BSA_min_23	5	0.025633	-1	12813	35	0	1425.6	-1	-			-1	EYEATLEECCAK	12	146	751.810668945313	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	4	Unmodified	_EYEATLEECCAK_	bsa;CON__P02769	0	1	BSA_min_23.mzXML			NaN	NaN	NaN	0	3	0	1
+BSA_min_23	6	0.031253	-1	10791	35	0	2980.7	-1	-		+	-1	CLNCFERWR	9	124	670.800842285156	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	5	Unmodified	_CLNCFERWR_	REV__CON__P06868	0	1	BSA_min_23.mzXML			NaN	NaN	NaN	0	4	0	1
+BSA_min_23	8	0.044372	-1	7950.3	35	0	925.49	-1	-		+	-1	TPLQYLHEFLSGILRAHVAPAVNGM	25	111	456.581360511828	2733.44450427137	6	MULTI	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	1	Unmodified	_TPLQYLHEFLSGILRAHVAPAVNGM_	REV__CON__REFSEQ:XP_092267	0	1	BSA_min_23.mzXML			NaN	NaN	NaN	0	5	1	7
+BSA_min_23	9	0.049315	-1	13730	35	0	3362.2	-1	-			-1	TSCSNANLEK	10	120	562.257629394531	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	2	Unmodified	_TSCSNANLEK_	CON__Q1A7A4	0	1	BSA_min_23.mzXML			NaN	NaN	NaN	0	6	1	7
+BSA_min_23	10	0.05446	-1	8774.7	35	0	723.28	-1	-			-1	 	0	121	589.203410887949	588.196134421349	1	MULTI	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	3	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	7	1	7
+BSA_min_23	11	0.06018	-1	4436.2	35	0	280.8	-1	-			-1	 	0	115	828.876770019531	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	4	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	8	1	7
+BSA_min_23	12	0.065908	-1	3625.8	35	0	189.9	-1	-			-1	GSCGIGGGIGGGSSR	15	112	639.798400878906	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	5	Unmodified	_GSCGIGGGIGGGSSR_	CON__P02533;CON__P08779	1.5870418381875	1	BSA_min_23.mzXML			NaN	NaN	NaN	0	9	1	7
+BSA_min_23	14	0.078957	-1	13236	35	0	4982.4	-1	-			-1	 	0	137	883.333059829652	1764.6515667261	2	MULTI	CID	FTMS	0	0	0	13	171569.53125	0.0583552615411773	-4	NaN	1	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	10	2	13
+BSA_min_23	15	0.084805	-1	6304.6	35	0	393.58	-1	-			-1	 	0	120	602.8994140625	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	2	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	11	2	13
+BSA_min_23	16	0.090573	-1	12119	35	0	1996	-1	-			-1	 	0	135	648.602725143793	1942.78634603158	3	MULTI	CID	FTMS	0	0	0	13	52074.7734375	0.102435594507697	-16	NaN	3	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	12	2	13
+BSA_min_23	17	0.096553	-1	5932.3	35	0	1047.4	-1	-		+	-1	SAAKLPSEK	9	110	465.766693115234	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	4	Unmodified	_SAAKLPSEK_	REV__CON__REFSEQ:XP_585019	0	1	BSA_min_23.mzXML			NaN	NaN	NaN	0	13	2	13
+BSA_min_23	18	0.10154	-1	4161.5	35	0	213.29	-1	-			-1	 	0	108	605.758117675781	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	5	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	14	2	13
+BSA_min_23	20	0.11439	-1	65173	35	0	21752	-1	-			-1	 	0	102	387.700285234344	NaN	0	PEAK	CID	FTMS	0	0	0	19	5176.81640625	0.231645826498235	-7	NaN	1	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	15	3	19
+BSA_min_23	21	0.11842	-1	33705	35	0	7550.4	-1	-			-1	 	0	123	430.226482307928	NaN	0	PEAK	CID	FTMS	0	0	0	19	7040.359375	0.343536017509867	-2	0.0701033333333334	2	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	16	3	19
+BSA_min_23	22	0.1234	-1	9502.6	35	0	474.56	-1	-			-1	 	0	111	455.744353147131	NaN	0	PEAK	CID	FTMS	0	0	0	19	112493.5	0.827447086298523	-1	0.0355433333333333	3	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	17	3	19
+BSA_min_23	23	0.12833	-1	2553.5	35	0	186.1	-1	-			-1	TEDGSDPPSGDFLTEGGGVR	20	105	664.964606092136	1991.87198887661	3	MULTI	CID	FTMS	0	0	0	19	58531.14453125	1	0	0	4	Unmodified	_TEDGSDPPSGDFLTEGGGVR_	CON__P02672	0	1	BSA_min_23.mzXML			NaN	NaN	NaN	0	18	3	19
+BSA_min_23	24	0.13435	-1	5665.1	35	0	559.01	-1	-			-1	 	0	93	441.716446446474	881.418339959749	2	MULTI	CID	FTMS	0	0	0	19	40583.5390625	0.581327680935085	-1	0.0355433333333333	5	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	19	3	19
+BSA_min_23	26	0.14696	-1	4965.5	35	0	2325.6	-1	-			-1	 	0	111	972.401410273474	1942.78826761375	2	MULTI	CID	FTMS	0	0	0	25	65218.546875	0.578387033725099	-12	NaN	1	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	20	4	25
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+BSA_min_23	29	0.16448	-1	3712.5	35	0	221.62	-1	-			-1	 	0	134	730.799031095722	1459.58350925824	2	MULTI	CID	FTMS	0	0	0	25	39553.00390625	1	0	0	4	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	23	4	25
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+BSA_min_23	34	0.19399	-1	794.02	35	0	70.921	-1	-			-1	 	0	53	931.328202121546	1860.64185130989	2	MULTI	CID	FTMS	0	0	0	31	40352.77734375	0.775544041279623	-1	0.0365716666666666	3	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	27	5	31
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+BSA_min_23	38	0.21916	-1	3920.8	35	0	140.38	-1	-			-1	 	0	120	703.140521860943	4212.79947236606	6	MULTI	CID	FTMS	0	0	0	37	38276.57421875	1	0	0	1	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	30	6	37
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+BSA_min_23	45	0.26131	-1	2056.8	35	0	123.91	-1	-			-1	 	0	95	686.596525404719	2056.76774681436	3	MULTI	CID	FTMS	0	0	0	43	42148.32421875	1	0	0	2	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	36	7	43
+BSA_min_23	46	0.26732	-1	4217.2	35	0	207.39	-1	-			-1	 	0	115	703.140521860943	4212.79947236606	6	MULTI	CID	FTMS	0	0	0	43	34525.390625	0.901997927706068	1	-0.0366366666666667	3	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	37	7	43
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+BSA_min_23	48	0.27939	-1	4893.8	35	0	478.46	-1	-		+	-1	LEENTQEIQKTIK	13	114	525.286926269531	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	5	Unmodified	_LEENTQEIQKTIK_	REV__CON__P17697	0	1	BSA_min_23.mzXML			NaN	NaN	NaN	0	39	7	43
+BSA_min_23	50	0.29214	-1	2694.3	35	0	193.07	-1	-			-1	 	0	118	844.169032154843	4215.80877844122	5	MULTI	CID	FTMS	0	0	0	49	18802.0625	1	0	0	1	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	40	8	49
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+BSA_min_23	52	0.30417	-1	2801.3	35	0	563.75	-1	+			3	QLELEKQLEK	10	103	629.356568937177	1256.69858494115	2	MULTI	CID	FTMS	0	0	0	49	47581.3515625	1	0	0	3	Unmodified	_QLELEKQLEK_	CON__ENSEMBL:ENSBTAP00000001528	0	1	BSA_min_23.mzXML			NaN	NaN	NaN	0	42	8	49
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+BSA_min_23	54	0.31497	-1	1089.3	35	0	99.892	-1	-			-1	 	0	87	1177.44225204557	3529.3049267369	3	MULTI	CID	FTMS	0	0	0	49	22208.09765625	0.573548719035153	2	-0.0722016666666667	5	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	44	8	49
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+BSA_min_23	57	0.33454	-1	4781	35	0	347.22	-1	-			-1	 	0	114	491.773453701772	981.532354470344	2	MULTI	CID	FTMS	0	0	0	55	66131.3984375	1	0	0	2	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	46	9	55
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+BSA_min_23	59	0.34561	-1	5227	35	0	382.1	-1	-			-1	 	0	94	517.743469238281	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	4	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	48	9	55
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+BSA_min_23	89	0.52681	-1	3749.8	35	0	351.63	-1	-			-1	 	0	100	597.066144900786	2980.29434217093	5	MULTI	CID	FTMS	0	0	0	87	19359.11328125	0.820197080002651	2	-0.04811	2	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	72	15	87
+BSA_min_23	90	0.53279	-1	3364.5	35	0	196.99	-1	-			-1	 	0	128	731.29825780069	1460.58196266818	2	MULTI	CID	FTMS	0	0	0	87	10634.3564453125	0.960368079417471	-1	0.0350400000000001	3	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	73	15	87
+BSA_min_23	92	0.54611	-1	4680.5	35	0	301.84	-1	-			-1	 	0	116	582.760858227368	1163.50716352154	2	MULTI	CID	FTMS	0	0	0	91	46220.83984375	0.762103661377976	-2	0.0587916666666667	1	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	74	16	91
+BSA_min_23	93	0.55132	-1	3773.2	35	0	552.59	-1	-			-1	 	0	106	635.60201346581	1903.78421099763	3	MULTI	CID	FTMS	0	0	0	91	24284.580078125	0.586968526901584	-2	0.0587916666666667	2	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	75	16	91
+BSA_min_23	94	0.55721	-1	4670.5	35	0	438.63	-1	-			-1	 	0	143	722.292864587666	1442.57117624213	2	MULTI	CID	FTMS	0	0	0	91	14970.0166015625	0.470778833500893	-2	0.0587916666666667	3	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	76	16	91
+BSA_min_23	96	0.57043	-1	15235	35	0	3357.3	-1	+			0	DSFDIIK	7	110	419.22149602984	836.428439126479	2	MULTI	CID	FTMS	0	0	0	95	346270.625	0.704625040984097	-1	0.0243583333333334	1	Unmodified	_DSFDIIK_	CON__ENSEMBL:ENSBTAP00000016046	0	1	BSA_min_23.mzXML			NaN	NaN	NaN	0	77	17	95
+BSA_min_23	97	0.57533	-1	4806.4	35	0	539.18	-1	-			-1	 	0	129	722.292864587666	1442.57117624213	2	MULTI	CID	FTMS	0	0	0	95	26752.708984375	0.841322322069994	-1	0.0243583333333334	2	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	78	17	95
+BSA_min_23	98	0.58084	-1	3667	35	0	164.63	-1	-			-1	 	0	113	595.224647156549	NaN	0	PEAK	CID	FTMS	0	0	0	95	6964.16259765625	0.341923515563021	-1	0.0243583333333334	3	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	79	17	95
+BSA_min_23	100	0.59414	-1	44171	35	0	23670	-1	-			-1	 	0	176	882.846108818038	1763.67766470288	2	MULTI	CID	FTMS	0	0	0	99	379571.375	0.768338756470332	1	NaN	1	 	 	 	NaN	NaN	BSA_min_23.mzXML			NaN	NaN	NaN	0	80	18	99
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/01/combined/txt/mzRange.txt
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/01/combined/txt/mzRange.txt	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,1881 @@
+Raw file	m/z	Peaks / Da	Single peaks / Da	Isotope patterns / Da	Single isotope patterns / Da	SILAC pairs / Da	Identified SILAC pairs / Da	SILAC identification rate [%]	MS/MS / Da	Identified MS/MS / Da	Identification rate [%]
+BSA_min_23	111.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	112.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	113.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	114.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	115.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	116.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	117.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	118.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	119.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	120.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	121.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	122.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	123.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	124.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	125.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	126.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	127.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	128.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	129.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	130.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	131.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	132.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	133.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	134.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	135.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	136.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	137.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	138.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	139.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	140.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	141.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	142.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	143.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	144.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	145.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	146.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	147.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	148.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	149.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	150.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	151.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	152.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	153.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	154.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	155.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	156.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	157.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	158.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	159.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	160.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	161.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	162.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	163.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	164.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	165.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	166.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	167.199897766113	0	0	0	0	0	0	NaN	0	0	
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+BSA_min_23	176.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	177.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	178.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	179.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	180.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	181.199897766113	0	0	0	0	0	0	NaN	0	0	
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+BSA_min_23	184.199897766113	0	0	0	0	0	0	NaN	0	0	
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+BSA_min_23	240.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	241.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	242.199897766113	0	0	0	0	0	0	NaN	0	0	
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+BSA_min_23	244.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	245.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	246.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	247.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	248.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	249.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	250.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	251.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	252.199897766113	0	0	0	0	0	0	NaN	0	0	
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+BSA_min_23	254.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	255.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	256.199897766113	0	0	0	0	0	0	NaN	0	0	
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+BSA_min_23	258.199897766113	0	0	0	0	0	0	NaN	0	0	
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+BSA_min_23	263.199897766113	0	0	0	0	0	0	NaN	0	0	
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+BSA_min_23	269.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	270.199897766113	0	0	0	0	0	0	NaN	0	0	
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+BSA_min_23	273.199897766113	0	0	0	0	0	0	NaN	0	0	
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+BSA_min_23	275.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	276.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	277.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	278.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	279.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	280.199897766113	0	0	0	0	0	0	NaN	0	0	
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+BSA_min_23	283.199897766113	0	0	0	0	0	0	NaN	0	0	
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+BSA_min_23	285.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	286.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	287.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	288.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	289.199897766113	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	290.199897766113	0.0357	0.001642	0.001428	0	7.139E-05	0	0	0	0	
+BSA_min_23	291.199897766113	0.2143	0.009856	0.008571	0	0.0004285	0	0	0	0	
+BSA_min_23	292.199897766113	0.3928	0.01807	0.01571	0	0.0007857	0	0	0	0	
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+BSA_min_23	1906.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1907.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1908.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1909.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1910.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1911.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1912.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1913.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1914.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1915.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1916.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1917.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1918.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1919.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1920.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1921.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1922.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1923.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1924.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1925.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1926.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1927.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1928.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1929.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1930.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1931.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1932.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1933.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1934.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1935.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1936.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1937.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1938.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1939.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1940.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1941.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1942.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1943.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1944.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1945.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1946.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1947.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1948.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1949.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1950.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1951.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1952.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1953.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1954.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1955.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1956.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1957.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1958.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1959.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1960.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1961.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1962.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1963.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1964.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1965.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1966.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1967.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1968.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1969.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1970.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1971.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1972.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1973.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1974.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1975.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1976.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1977.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1978.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1979.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1980.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1981.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1982.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1983.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1984.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1985.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1986.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1987.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1988.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1989.19989776611	0	0	0	0	0	0	NaN	0	0	
+BSA_min_23	1990.19989776611	0	0	0	0	0	0	NaN	0	0	
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/01/combined/txt/mzTab.mzTab
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/01/combined/txt/mzTab.mzTab	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,49 @@
+MTD	mzTab-version	1.0.0
+MTD	mzTab-mode	Complete
+MTD	mzTab-type	Identification
+MTD	title	null
+MTD	description	null
+MTD	software[1]	[MS, MS:1001583, MaxQuant,1.6.10.43]
+COM	[, CHEMMOD:57.0214637236, Carbamidomethyl (C),]	
+MTD	fixed_mod[1]	[, , CHEMMOD:57.0214637236,]
+MTD	fixed_mod[1]-site	C
+MTD	fixed_mod[1]-position	Anywhere
+COM	[, CHEMMOD:15.9949146221, Oxidation (M),]	
+MTD	variable_mod[1]	[, , CHEMMOD:15.9949146221,]
+MTD	variable_mod[1]-site	M
+MTD	variable_mod[1]-position	Anywhere
+MTD	protein_search_engine_score[1]	[MS, MS:1002375, protein group-level combined FDRscore, ]
+MTD	peptide_search_engine_score[1]	[MS, MS:1001250, local FDR, ]
+MTD	psm_search_engine_score[1]	[MS, MS:1002338, Andromeda:score,  ]
+MTD	psm_search_engine_score[2]	[MS, MS:1002995, Andromeda:PEP,  ]
+MTD	ms_run[1]-format	[MS, MS:1002996, Andromeda:apl file format, ]
+MTD	ms_run[1]-location	file://d:/shared/dglaetzer/maxquant_tool/test1/combined/andromeda/allspectra.cid.ftms.secpep.sil0_0.apl
+MTD	ms_run[1]-id_format	[MS, MS:1000776, scan number only nativeID format, ]
+MTD	ms_run[2]-format	[MS, MS:1002996, Andromeda:apl file format, ]
+MTD	ms_run[2]-location	file://d:/shared/dglaetzer/maxquant_tool/test1/combined/andromeda/allspectra.cid.ftms.iso_0.apl
+MTD	ms_run[2]-id_format	[MS, MS:1000776, scan number only nativeID format, ]
+
+PRH	accession	description	taxid	species	database	database_version	search_engine	best_search_engine_score[1]	search_engine_score[1]_ms_run[1]	search_engine_score[1]_ms_run[2]	num_psms_ms_run[1]	num_psms_ms_run[2]	num_peptides_distinct_ms_run[1]	num_peptides_distinct_ms_run[2]	num_peptides_unique_ms_run[1]	num_peptides_unique_ms_run[2]	ambiguity_members	modifications	protein_coverage	opt_global_cv_MS:1002217_decoy_peptide 
+PRT	CON__P02769	null	null	null	null	null	[MS, MS:1002337, Andromeda, 1.6.10.43]	6.22453365714539	null	null	null	null	null	null	null	null	CON__P02769, bsa, CON__P02768-1	null	0.012	0
+PRT	CON__ENSEMBL:ENSBTAP00000001528	null	null	null	null	null	[MS, MS:1002337, Andromeda, 1.6.10.43]	7.46941253488722	null	null	null	null	null	null	null	null	CON__ENSEMBL:ENSBTAP00000001528	null	0.008	0
+PRT	CON__ENSEMBL:ENSBTAP00000016046	null	null	null	null	null	[MS, MS:1002337, Andromeda, 1.6.10.43]	8.04777465053044	null	null	null	null	null	null	null	null	CON__ENSEMBL:ENSBTAP00000016046	null	0.01	0
+PRT	CON__ENSEMBL:ENSBTAP00000018574	null	null	null	null	null	[MS, MS:1002337, Andromeda, 1.6.10.43]	7.73737648138078	null	null	null	null	null	null	null	null	CON__ENSEMBL:ENSBTAP00000018574	null	0.016	0
+PRT	CON__P50446	null	null	null	null	null	[MS, MS:1002337, Andromeda, 1.6.10.43]	6.03764269117454	null	null	null	null	null	null	null	null	CON__P50446	null	0.025	0
+PRT	CON__Q03247	null	null	null	null	null	[MS, MS:1002337, Andromeda, 1.6.10.43]	5.81086493552667	null	null	null	null	null	null	null	null	CON__Q03247	null	0.025	0
+PRT	CON__Q14CN4-1	null	null	null	null	null	[MS, MS:1002337, Andromeda, 1.6.10.43]	5.99478997658237	null	null	null	null	null	null	null	null	CON__Q14CN4-1, CON__Q3SY84, CON__Q9R0H5	null	0.016	0
+
+PSH	sequence	PSM_ID	accession	unique	database	database_version	search_engine	search_engine_score[1]	search_engine_score[2]	modifications	retention_time	charge	exp_mass_to_charge	calc_mass_to_charge	spectra_ref	pre	post	start	end	opt_global_cv_MS:1000776_scan_number_only_nativeID_format	opt_global_cv_MS:1002217_decoy_peptide 
+PSM	DSFDIIK	1	CON__ENSEMBL:ENSBTAP00000016046	1	null	null	[MS, MS:1002338, Andromeda:score, 1.6.10.43]	0	8.95829478642414E-05	null	0.570428333333333	2	419.22	419.22127	ms_run[2]:index=5	R	R	646	652	96	0
+PSM	LLESEECR	2	CON__Q14CN4-1	0	null	null	[MS, MS:1002338, Andromeda:score, 1.6.10.43]	1.63126590808724	0.0101206876914345	null	0.509571666666667	2	518.24	518.24241	ms_run[2]:index=13	K	M	430	437	86	0
+PSM	LLESEECR	2	CON__Q3SY84	0	null	null	[MS, MS:1002338, Andromeda:score, 1.6.10.43]	1.63126590808724	0.0101206876914345	null	0.509571666666667	2	518.24	518.24241	ms_run[2]:index=13	K	M	430	437	86	0
+PSM	LLESEECR	2	CON__Q9R0H5	0	null	null	[MS, MS:1002338, Andromeda:score, 1.6.10.43]	1.63126590808724	0.0101206876914345	null	0.509571666666667	2	518.24	518.24241	ms_run[2]:index=13	K	M	430	437	86	0
+PSM	LVTDLTK	3	CON__P02769	0	null	null	[MS, MS:1002338, Andromeda:score, 1.6.10.43]	0	0.00596302105559693	null	0.0100133333333333	2	395.24	395.23946	ms_run[2]:index=4	K	V	257	263	2	0
+PSM	LVTDLTK	3	bsa	0	null	null	[MS, MS:1002338, Andromeda:score, 1.6.10.43]	0	0.00596302105559693	null	0.0100133333333333	2	395.24	395.23946	ms_run[2]:index=4	K	V	257	263	2	0
+PSM	LVTDLTK	3	CON__P02768-1	0	null	null	[MS, MS:1002338, Andromeda:score, 1.6.10.43]	0	0.00596302105559693	null	0.0100133333333333	2	395.24	395.23946	ms_run[2]:index=4	K	V	257	263	2	0
+PSM	QLELEKQLEK	4	CON__ENSEMBL:ENSBTAP00000001528	1	null	null	[MS, MS:1002338, Andromeda:score, 1.6.10.43]	0	0.00033930281684504	null	0.304175	2	629.36	629.35608	ms_run[2]:index=31	R	Q	408	417	52	0
+PSM	QLELEKQLEK	5	CON__ENSEMBL:ENSBTAP00000001528	1	null	null	[MS, MS:1002338, Andromeda:score, 1.6.10.43]	0	0.00033930281684504	null	0.487221666666667	2	629.36	629.35608	ms_run[2]:index=30	R	Q	408	417	82	0
+PSM	QLELEKQLEK	6	CON__ENSEMBL:ENSBTAP00000001528	1	null	null	[MS, MS:1002338, Andromeda:score, 1.6.10.43]	0	0.015457350844535	null	0.570428333333333	3	419.91	419.90648	ms_run[1]:index=5	R	Q	408	417	96	0
+PSM	SLSAIRER	7	CON__Q03247	1	null	null	[MS, MS:1002338, Andromeda:score, 1.6.10.43]	0	0.015457350844535	null	0.0965533333333333	2	466.27	466.26962	ms_run[1]:index=2	R	F	190	197	17	0
+PSM	SQTSHRGYSASSAR	8	CON__P50446	1	null	null	[MS, MS:1002338, Andromeda:score, 1.6.10.43]	0	0.00916974606023747	null	0.309418333333333	2	747.86	747.85583	ms_run[2]:index=48	K	V	9	22	53	0
+PSM	TLGPWGQR	9	CON__ENSEMBL:ENSBTAP00000018574	1	null	null	[MS, MS:1002338, Andromeda:score, 1.6.10.43]	0	0.000183072671316044	null	0.425933333333333	2	457.75	457.74578	ms_run[2]:index=9	R	D	20	27	72	0
+
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/01/combined/txt/parameters.txt
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/01/combined/txt/parameters.txt	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,105 @@
+Parameter	Value
+Version	1.6.10.43
+User name	dglaetzer
+Machine name	FPROT-BEAST
+Date of writing	02/25/2020 15:36:33
+Include contaminants	True
+PSM FDR	0.01
+PSM FDR Crosslink	0.01
+Protein FDR	0.01
+Site FDR	0.01
+Use Normalized Ratios For Occupancy	True
+Min. peptide Length	7
+Min. score for unmodified peptides	0
+Min. score for modified peptides	40
+Min. delta score for unmodified peptides	0
+Min. delta score for modified peptides	6
+Min. unique peptides	0
+Min. razor peptides	1
+Min. peptides	1
+Use only unmodified peptides and	True
+Modifications included in protein quantification	Oxidation (M);Acetyl (Protein N-term)
+Peptides used for protein quantification	Razor
+Discard unmodified counterpart peptides	True
+Label min. ratio count	2
+Use delta score	False
+iBAQ	False
+iBAQ log fit	False
+Match between runs	False
+Find dependent peptides	False
+Fasta file	D:\shared\dglaetzer\maxquant_tool\test1\bsa.fasta
+Decoy mode	revert
+Include contaminants	True
+Advanced ratios	True
+Fixed andromeda index folder	
+Temporary folder	
+Combined folder location	
+Second peptides	True
+Stabilize large LFQ ratios	True
+Separate LFQ in parameter groups	False
+Require MS/MS for LFQ comparisons	True
+Calculate peak properties	False
+Main search max. combinations	200
+Advanced site intensities	True
+Write msScans table	False
+Write msmsScans table	True
+Write ms3Scans table	True
+Write allPeptides table	True
+Write mzRange table	True
+Write pasefMsmsScans table	True
+Write accumulatedPasefMsmsScans table	True
+Max. peptide mass [Da]	4600
+Min. peptide length for unspecific search	8
+Max. peptide length for unspecific search	25
+Razor protein FDR	True
+Disable MD5	False
+Max mods in site table	3
+Match unidentified features	False
+Epsilon score for mutations	
+Evaluate variant peptides separately	True
+Variation mode	None
+MS/MS tol. (FTMS)	20 ppm
+Top MS/MS peaks per Da interval. (FTMS)	12
+Da interval. (FTMS)	100
+MS/MS deisotoping (FTMS)	True
+MS/MS deisotoping tolerance (FTMS)	7
+MS/MS deisotoping tolerance unit (FTMS)	ppm
+MS/MS higher charges (FTMS)	True
+MS/MS water loss (FTMS)	True
+MS/MS ammonia loss (FTMS)	True
+MS/MS dependent losses (FTMS)	True
+MS/MS recalibration (FTMS)	False
+MS/MS tol. (ITMS)	0.5 Da
+Top MS/MS peaks per Da interval. (ITMS)	8
+Da interval. (ITMS)	100
+MS/MS deisotoping (ITMS)	False
+MS/MS deisotoping tolerance (ITMS)	0.15
+MS/MS deisotoping tolerance unit (ITMS)	Da
+MS/MS higher charges (ITMS)	True
+MS/MS water loss (ITMS)	True
+MS/MS ammonia loss (ITMS)	True
+MS/MS dependent losses (ITMS)	True
+MS/MS recalibration (ITMS)	False
+MS/MS tol. (TOF)	40 ppm
+Top MS/MS peaks per Da interval. (TOF)	10
+Da interval. (TOF)	100
+MS/MS deisotoping (TOF)	True
+MS/MS deisotoping tolerance (TOF)	0.01
+MS/MS deisotoping tolerance unit (TOF)	Da
+MS/MS higher charges (TOF)	True
+MS/MS water loss (TOF)	True
+MS/MS ammonia loss (TOF)	True
+MS/MS dependent losses (TOF)	True
+MS/MS recalibration (TOF)	False
+MS/MS tol. (Unknown)	20 ppm
+Top MS/MS peaks per Da interval. (Unknown)	12
+Da interval. (Unknown)	100
+MS/MS deisotoping (Unknown)	True
+MS/MS deisotoping tolerance (Unknown)	7
+MS/MS deisotoping tolerance unit (Unknown)	ppm
+MS/MS higher charges (Unknown)	True
+MS/MS water loss (Unknown)	True
+MS/MS ammonia loss (Unknown)	True
+MS/MS dependent losses (Unknown)	True
+MS/MS recalibration (Unknown)	False
+Site tables	Oxidation (M)Sites.txt
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/01/combined/txt/peptideSection.txt
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/01/combined/txt/peptideSection.txt	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,8 @@
+PEH	sequence	accession	unique	database	database_version	search_engine	best_search_engine_score[1]	search_engine_score[1]_ms_run[0]	modifications	retention_time	retention_time_window	charge	mass_to_charge	spectra_ref	peptide_abundance_study_variable[0]	peptide_abundance_stdev_study_variable[0]	peptide_abundance_std_error_study_variable[0]
+PEP	DSFDIIK	null															
+PEP	LLESEECR	null															
+PEP	LVTDLTK	null															
+PEP	QLELEKQLEK	null															
+PEP	SLSAIRER	null															
+PEP	SQTSHRGYSASSAR	null															
+PEP	TLGPWGQR	null															
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/01/combined/txt/peptides.txt
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/01/combined/txt/peptides.txt	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,8 @@
+Sequence	N-term cleavage window	C-term cleavage window	Amino acid before	First amino acid	Second amino acid	Second last amino acid	Last amino acid	Amino acid after	A Count	R Count	N Count	D Count	C Count	Q Count	E Count	G Count	H Count	I Count	L Count	K Count	M Count	F Count	P Count	S Count	T Count	W Count	Y Count	V Count	U Count	O Count	Length	Missed cleavages	Mass	Proteins	Leading razor protein	Start position	End position	Unique (Groups)	Unique (Proteins)	Charges	PEP	Score	Experiment BSA_min_23.mzXML	Intensity	Intensity BSA_min_23.mzXML	Reverse	Potential contaminant	id	Protein group IDs	Mod. peptide IDs	Evidence IDs	MS/MS IDs	Best MS/MS	Oxidation (M) site IDs	MS/MS Count
+DSFDIIK	NHADIIFDITDGNLRDSFDIIKRYMDGMTV	DITDGNLRDSFDIIKRYMDGMTVGVVRQVR	R	D	S	I	K	R	0	0	0	2	0	0	0	0	0	2	0	1	0	1	0	1	0	0	0	0	0	0	7	0	836.42798	CON__ENSEMBL:ENSBTAP00000016046	CON__ENSEMBL:ENSBTAP00000016046	646	652	yes	yes	2	8.9583E-05	0	1	768320	768320		+	0	2	0	0	0	0		1
+LLESEECR	SLKLALDMEIATYRKLLESEECRMSGEYPN	EIATYRKLLESEECRMSGEYPNSVSISVIS	K	L	L	C	R	M	0	1	0	0	1	0	3	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	8	0	1034.4703	CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5	CON__Q14CN4-1	430	437	yes	no	2	0.010121	1.6313	1	0	0		+	1	6	1	1	1	1		1
+LVTDLTK	LSQKFPKAEFVEVTKLVTDLTKVHKECCHG	AEFVEVTKLVTDLTKVHKECCHGDLLECAD	K	L	V	T	K	V	0	0	0	1	0	0	0	0	0	0	2	1	0	0	0	0	2	0	0	1	0	0	7	0	788.46437	CON__P02769;bsa;CON__P02768-1	CON__P02769	257	263	yes	no	2	0.005963	0	1	0	0		+	2	0	2	2	2	2		1
+QLELEKQLEK	QERKERERQEQERKRQLELEKQLEKQRELE	QERKRQLELEKQLEKQRELERQREEERRKE	R	Q	L	E	K	Q	0	0	0	0	0	2	3	0	0	0	3	2	0	0	0	0	0	0	0	0	0	0	10	1	1256.6976	CON__ENSEMBL:ENSBTAP00000001528	CON__ENSEMBL:ENSBTAP00000001528	408	417	yes	yes	2;3	0.0003393	0	2	142430	142430		+	3	1	3	3;4	3;4;5	3		2
+SLSAIRER	RLAVYQAGASEGAERSLSAIRERFGPLVEQ	ASEGAERSLSAIRERFGPLVEQGQSRAATL	R	S	L	E	R	F	1	2	0	0	0	0	1	0	0	1	1	0	0	0	0	2	0	0	0	0	0	0	8	1	930.52468	CON__Q03247	CON__Q03247	190	197	yes	yes	2	0.015457	0	1	33499	33499		+	4	5	4	5	6	6		0
+SQTSHRGYSASSAR	______________________________	KSQTSHRGYSASSARVPGLNRSGFSSVSVC	K	S	Q	A	R	V	2	2	0	0	0	1	0	1	1	0	0	0	0	0	0	5	1	0	1	0	0	0	14	1	1493.6971	CON__P50446	CON__P50446	9	22	yes	yes	2	0.0091697	0	1	59701	59701		+	5	4	5	6	7	7		1
+TLGPWGQR	LRPLLLALLLASACRTLGPWGQRDDGGGEP	LLASACRTLGPWGQRDDGGGEPESMEPRWG	R	T	L	Q	R	D	0	1	0	0	0	1	0	2	0	0	1	0	0	0	1	0	1	1	0	0	0	0	8	0	913.477	CON__ENSEMBL:ENSBTAP00000018574	CON__ENSEMBL:ENSBTAP00000018574	20	27	yes	yes	2	0.00018307	0	1	61894	61894		+	6	3	6	7	8	8		1
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/01/combined/txt/proteinGroups.txt
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/01/combined/txt/proteinGroups.txt	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,8 @@
+Protein IDs	Majority protein IDs	Peptide counts (all)	Peptide counts (razor+unique)	Peptide counts (unique)	Fasta headers	Number of proteins	Peptides	Razor + unique peptides	Unique peptides	Peptides BSA_min_23.mzXML	Razor + unique peptides BSA_min_23.mzXML	Unique peptides BSA_min_23.mzXML	Sequence coverage [%]	Unique + razor sequence coverage [%]	Unique sequence coverage [%]	Mol. weight [kDa]	Sequence length	Sequence lengths	Q-value	Score	Sequence coverage BSA_min_23.mzXML [%]	Intensity	Intensity BSA_min_23.mzXML	MS/MS count	Only identified by site	Reverse	Potential contaminant	id	Peptide IDs	Peptide is razor	Mod. peptide IDs	Evidence IDs	MS/MS IDs	Best MS/MS	Oxidation (M) site IDs	Oxidation (M) site positions
+CON__P02769;bsa;CON__P02768-1	CON__P02769;bsa;CON__P02768-1	1;1;1	1;1;1	1;1;1	;bsa sp|P02769|ALBU_BOVIN Serum albumin OS=Bos taurus OX=9913 GN=ALB PE=1 SV=4;	3	1	1	1	1	1	1	1.2	1.2	1.2	69.293	607	607;607;609	0	6.2245	1.2	0	0	1			+	0	2	True	2	2	2	2		
+CON__ENSEMBL:ENSBTAP00000001528	CON__ENSEMBL:ENSBTAP00000001528	1	1	1		1	1	1	1	1	1	1	0.8	0.8	0.8	137.98	1222	1222	0	7.4694	0.8	142430	142430	2			+	1	3	True	3	3;4	3;4;5	3		
+CON__ENSEMBL:ENSBTAP00000016046	CON__ENSEMBL:ENSBTAP00000016046	1	1	1		1	1	1	1	1	1	1	1	1	1	77.456	706	706	0	8.0478	1	768320	768320	1			+	2	0	True	0	0	0	0		
+CON__ENSEMBL:ENSBTAP00000018574	CON__ENSEMBL:ENSBTAP00000018574	1	1	1		1	1	1	1	1	1	1	1.6	1.6	1.6	55.207	496	496	0	7.7374	1.6	61894	61894	1			+	3	6	True	6	7	8	8		
+CON__P50446	CON__P50446	1	1	1		1	1	1	1	1	1	1	2.5	2.5	2.5	59.334	553	553	0	6.0376	2.5	59701	59701	1			+	4	5	True	5	6	7	7		
+CON__Q03247	CON__Q03247	1	1	1		1	1	1	1	1	1	1	2.5	2.5	2.5	35.979	316	316	0	5.8109	2.5	33499	33499	0			+	5	4	True	4	5	6	6		
+CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5	CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5	1;1;1	1;1;1	1;1;1	;;	3	1	1	1	1	1	1	1.6	1.6	1.6	55.877	511	511;523;524	0	5.9948	1.6	0	0	1			+	6	1	True	1	1	1	1		
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/01/combined/txt/summary.txt
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/01/combined/txt/summary.txt	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,3 @@
+Raw file	Experiment	Enzyme	Enzyme mode	Enzyme first search	Enzyme mode first search	Use enzyme first search	Variable modifications	Fixed modifications	Multi modifications	Variable modifications first search	Use variable modifications first search	Requantify	Multiplicity	Max. missed cleavages	Labels0	LC-MS run type	Time-dependent recalibration	MS	MS/MS	MS3	MS/MS Submitted	MS/MS Submitted (SIL)	MS/MS Submitted (ISO)	MS/MS Submitted (PEAK)	MS/MS Identified	MS/MS Identified (SIL)	MS/MS Identified (ISO)	MS/MS Identified (PEAK)	MS/MS Identified [%]	MS/MS Identified (SIL) [%]	MS/MS Identified (ISO) [%]	MS/MS Identified (PEAK) [%]	Peptide Sequences Identified	Peaks	Peaks Sequenced	Peaks Sequenced [%]	Peaks Repeatedly Sequenced	Peaks Repeatedly Sequenced [%]	Isotope Patterns	Isotope Patterns Sequenced	Isotope Patterns Sequenced (z>1)	Isotope Patterns Sequenced [%]	Isotope Patterns Sequenced (z>1) [%]	Isotope Patterns Repeatedly Sequenced	Isotope Patterns Repeatedly Sequenced [%]	Recalibrated	Av. Absolute Mass Deviation [ppm]	Mass Standard Deviation [ppm]	Av. Absolute Mass Deviation [mDa]	Mass Standard Deviation [mDa]
+BSA_min_23	BSA_min_23.mzXML	Trypsin/P	Specific			False	Oxidation (M)	Carbamidomethyl (C)			False	False	1	1		Standard		19	81	0	111	51	0	60	7	5	0	2	6.3	9.8	0	3.3	7	1200	57	4.8	4	7	166	39	35	23	27	10	26	+	0.48635	0.52208	0.27503	0.30402
+Total																		19	81	0	111	51	0	60	7	5	0	2	6.3	9.8	0	3.3	7	1200					166	39	35	23	27	10	26		0.48635	0.52208	0.27503	0.30402
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/01/config.yml
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/01/config.yml	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,22 @@
+
+            fastaFiles: [/tmp/tmpQsmPD9/files/7/b/e/dataset_7be42b54-5eac-4f1d-a6bb-0b85e8f1bd67.dat]
+            parseRules:
+              identifierParseRule: '>([^\s]*)'
+              descriptionParseRule: '>(.*)'
+            minUniquePeptides: 0
+            minPepLen: 7
+            maxPeptideMass: 4600
+            calcPeakProperties: False
+            writeMzTab: True
+            separateLfq: False
+            lfqStabilizeLargeRatios: True
+            lfqRequireMsms: True
+            advancedSiteIntensities: True
+            matchBetweenRuns: False
+            paramGroups:
+              - files: ['BSA_min_23.mzXML']
+                maxMissedCleavages: 1
+                fixedModifications: [Carbamidomethyl (C)]
+                variableModifications: [Oxidation (M)]
+                enzymes: [Trypsin/P]
+        
\ No newline at end of file
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/01/mqpar.xml
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/01/mqpar.xml	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,451 @@
+<?xml version="1.0" ?>
+<MaxQuantParams>
+	<fastaFiles>
+		<FastaFileInfo>
+			<fastaFilePath>D:\shared\dglaetzer\maxquant_tool\test1\bsa.fasta</fastaFilePath>
+			<identifierParseRule>&gt;([^\s]*)</identifierParseRule>
+			<descriptionParseRule>&gt;(.*)</descriptionParseRule>
+			<taxonomyParseRule/>
+			<variationParseRule/>
+			<modificationParseRule/>
+			<taxonomyId/>
+		</FastaFileInfo>
+	</fastaFiles>
+	<fastaFilesProteogenomics>
+   </fastaFilesProteogenomics>
+	<fastaFilesFirstSearch>
+   </fastaFilesFirstSearch>
+	<fixedSearchFolder/>
+	<andromedaCacheSize>350000</andromedaCacheSize>
+	<advancedRatios>True</advancedRatios>
+	<pvalThres>0.005</pvalThres>
+	<neucodeRatioBasedQuantification>False</neucodeRatioBasedQuantification>
+	<neucodeStabilizeLargeRatios>False</neucodeStabilizeLargeRatios>
+	<rtShift>False</rtShift>
+	<separateLfq>False</separateLfq>
+	<lfqStabilizeLargeRatios>True</lfqStabilizeLargeRatios>
+	<lfqRequireMsms>True</lfqRequireMsms>
+	<decoyMode>revert</decoyMode>
+	<boxCarMode>all</boxCarMode>
+	<includeContaminants>True</includeContaminants>
+	<maxPeptideMass>4600</maxPeptideMass>
+	<epsilonMutationScore>True</epsilonMutationScore>
+	<mutatedPeptidesSeparately>True</mutatedPeptidesSeparately>
+	<proteogenomicPeptidesSeparately>True</proteogenomicPeptidesSeparately>
+	<minDeltaScoreUnmodifiedPeptides>0</minDeltaScoreUnmodifiedPeptides>
+	<minDeltaScoreModifiedPeptides>6</minDeltaScoreModifiedPeptides>
+	<minScoreUnmodifiedPeptides>0</minScoreUnmodifiedPeptides>
+	<minScoreModifiedPeptides>40</minScoreModifiedPeptides>
+	<secondPeptide>True</secondPeptide>
+	<matchBetweenRuns>False</matchBetweenRuns>
+	<matchUnidentifiedFeatures>False</matchUnidentifiedFeatures>
+	<matchBetweenRunsFdr>False</matchBetweenRunsFdr>
+	<dependentPeptides>False</dependentPeptides>
+	<dependentPeptideFdr>0</dependentPeptideFdr>
+	<dependentPeptideMassBin>0</dependentPeptideMassBin>
+	<dependentPeptidesBetweenRuns>False</dependentPeptidesBetweenRuns>
+	<dependentPeptidesWithinExperiment>False</dependentPeptidesWithinExperiment>
+	<dependentPeptidesWithinParameterGroup>False</dependentPeptidesWithinParameterGroup>
+	<dependentPeptidesRestrictFractions>False</dependentPeptidesRestrictFractions>
+	<dependentPeptidesFractionDifference>0</dependentPeptidesFractionDifference>
+	<msmsConnection>False</msmsConnection>
+	<ibaq>False</ibaq>
+	<top3>False</top3>
+	<independentEnzymes>False</independentEnzymes>
+	<useDeltaScore>False</useDeltaScore>
+	<splitProteinGroupsByTaxonomy>False</splitProteinGroupsByTaxonomy>
+	<taxonomyLevel>Species</taxonomyLevel>
+	<avalon>False</avalon>
+	<nModColumns>3</nModColumns>
+	<ibaqLogFit>False</ibaqLogFit>
+	<razorProteinFdr>True</razorProteinFdr>
+	<deNovoSequencing>False</deNovoSequencing>
+	<deNovoVarMods>True</deNovoVarMods>
+	<massDifferenceSearch>False</massDifferenceSearch>
+	<isotopeCalc>False</isotopeCalc>
+	<writePeptidesForSpectrumFile/>
+	<intensityPredictionsFile>
+   </intensityPredictionsFile>
+	<minPepLen>7</minPepLen>
+	<psmFdrCrosslink>0.01</psmFdrCrosslink>
+	<peptideFdr>0.01</peptideFdr>
+	<proteinFdr>0.01</proteinFdr>
+	<siteFdr>0.01</siteFdr>
+	<minPeptideLengthForUnspecificSearch>8</minPeptideLengthForUnspecificSearch>
+	<maxPeptideLengthForUnspecificSearch>25</maxPeptideLengthForUnspecificSearch>
+	<useNormRatiosForOccupancy>True</useNormRatiosForOccupancy>
+	<minPeptides>1</minPeptides>
+	<minRazorPeptides>1</minRazorPeptides>
+	<minUniquePeptides>0</minUniquePeptides>
+	<useCounterparts>False</useCounterparts>
+	<advancedSiteIntensities>True</advancedSiteIntensities>
+	<customProteinQuantification>False</customProteinQuantification>
+	<customProteinQuantificationFile/>
+	<minRatioCount>2</minRatioCount>
+	<restrictProteinQuantification>True</restrictProteinQuantification>
+	<restrictMods>
+		<string>Oxidation (M)</string>
+		<string>Acetyl (Protein N-term)</string>
+	</restrictMods>
+	<matchingTimeWindow>0</matchingTimeWindow>
+	<matchingIonMobilityWindow>0</matchingIonMobilityWindow>
+	<alignmentTimeWindow>0</alignmentTimeWindow>
+	<alignmentIonMobilityWindow>0</alignmentIonMobilityWindow>
+	<numberOfCandidatesMsms>15</numberOfCandidatesMsms>
+	<compositionPrediction>0</compositionPrediction>
+	<quantMode>1</quantMode>
+	<massDifferenceMods>
+   </massDifferenceMods>
+	<mainSearchMaxCombinations>200</mainSearchMaxCombinations>
+	<writeMsScansTable>False</writeMsScansTable>
+	<writeMsmsScansTable>True</writeMsmsScansTable>
+	<writePasefMsmsScansTable>True</writePasefMsmsScansTable>
+	<writeAccumulatedPasefMsmsScansTable>True</writeAccumulatedPasefMsmsScansTable>
+	<writeMs3ScansTable>True</writeMs3ScansTable>
+	<writeAllPeptidesTable>True</writeAllPeptidesTable>
+	<writeMzRangeTable>True</writeMzRangeTable>
+	<writeMzTab>True</writeMzTab>
+	<disableMd5>False</disableMd5>
+	<cacheBinInds>True</cacheBinInds>
+	<etdIncludeB>False</etdIncludeB>
+	<ms2PrecursorShift>0</ms2PrecursorShift>
+	<complementaryIonPpm>20</complementaryIonPpm>
+	<variationParseRule/>
+	<variationMode>none</variationMode>
+	<useSeriesReporters>False</useSeriesReporters>
+	<name>session1</name>
+	<maxQuantVersion>1.6.10.43</maxQuantVersion>
+	<tempFolder/>
+	<pluginFolder/>
+	<numThreads>1</numThreads>
+	<emailAddress/>
+	<smtpHost/>
+	<emailFromAddress/>
+	<fixedCombinedFolder/>
+	<fullMinMz>-1.79769313486232E+308</fullMinMz>
+	<fullMaxMz>1.79769313486232E+308</fullMaxMz>
+	<sendEmail>False</sendEmail>
+	<ionCountIntensities>False</ionCountIntensities>
+	<verboseColumnHeaders>False</verboseColumnHeaders>
+	<calcPeakProperties>False</calcPeakProperties>
+	<showCentroidMassDifferences>False</showCentroidMassDifferences>
+	<showIsotopeMassDifferences>False</showIsotopeMassDifferences>
+	<useDotNetCore>False</useDotNetCore>
+	<filePaths>
+		<string>D:\shared\dglaetzer\maxquant_tool\test1\BSA_min_23.mzXML</string>
+	</filePaths>
+	<experiments>
+		<string>BSA_min_23.mzXML</string>
+	</experiments>
+	<fractions>
+		<short>32767</short>
+	</fractions>
+	<ptms>
+		<boolean>False</boolean>
+	</ptms>
+	<paramGroupIndices>
+		<int>0</int>
+	</paramGroupIndices>
+	<referenceChannel>
+		<string/>
+	</referenceChannel>
+	<intensPred>False</intensPred>
+	<intensPredModelReTrain>False</intensPredModelReTrain>
+	<parameterGroups>
+		<parameterGroup>
+			<msInstrument>0</msInstrument>
+			<maxCharge>7</maxCharge>
+			<minPeakLen>2</minPeakLen>
+			<diaMinPeakLen>2</diaMinPeakLen>
+			<useMs1Centroids>False</useMs1Centroids>
+			<useMs2Centroids>False</useMs2Centroids>
+			<cutPeaks>True</cutPeaks>
+			<gapScans>1</gapScans>
+			<minTime>NaN</minTime>
+			<maxTime>NaN</maxTime>
+			<matchType>MatchFromAndTo</matchType>
+			<intensityDetermination>0</intensityDetermination>
+			<centroidMatchTol>8</centroidMatchTol>
+			<centroidMatchTolInPpm>True</centroidMatchTolInPpm>
+			<centroidHalfWidth>35</centroidHalfWidth>
+			<centroidHalfWidthInPpm>True</centroidHalfWidthInPpm>
+			<valleyFactor>1.4</valleyFactor>
+			<isotopeValleyFactor>1.2</isotopeValleyFactor>
+			<advancedPeakSplitting>False</advancedPeakSplitting>
+			<intensityThreshold>0</intensityThreshold>
+			<labelMods>
+				<string/>
+			</labelMods>
+			<lcmsRunType>Standard</lcmsRunType>
+			<reQuantify>False</reQuantify>
+			<lfqMode>0</lfqMode>
+			<lfqSkipNorm>False</lfqSkipNorm>
+			<lfqMinEdgesPerNode>3</lfqMinEdgesPerNode>
+			<lfqAvEdgesPerNode>6</lfqAvEdgesPerNode>
+			<lfqMaxFeatures>100000</lfqMaxFeatures>
+			<neucodeMaxPpm>0</neucodeMaxPpm>
+			<neucodeResolution>0</neucodeResolution>
+			<neucodeResolutionInMda>False</neucodeResolutionInMda>
+			<neucodeInSilicoLowRes>False</neucodeInSilicoLowRes>
+			<fastLfq>True</fastLfq>
+			<lfqRestrictFeatures>False</lfqRestrictFeatures>
+			<lfqMinRatioCount>2</lfqMinRatioCount>
+			<maxLabeledAa>0</maxLabeledAa>
+			<maxNmods>5</maxNmods>
+			<maxMissedCleavages>1</maxMissedCleavages>
+			<multiplicity>1</multiplicity>
+			<enzymeMode>0</enzymeMode>
+			<complementaryReporterType>0</complementaryReporterType>
+			<reporterNormalization>0</reporterNormalization>
+			<neucodeIntensityMode>0</neucodeIntensityMode>
+			<fixedModifications>
+				<string>Carbamidomethyl (C)</string>
+			</fixedModifications>
+			<enzymes>
+				<string>Trypsin/P</string>
+			</enzymes>
+			<enzymesFirstSearch>
+         </enzymesFirstSearch>
+			<enzymeModeFirstSearch>0</enzymeModeFirstSearch>
+			<useEnzymeFirstSearch>False</useEnzymeFirstSearch>
+			<useVariableModificationsFirstSearch>False</useVariableModificationsFirstSearch>
+			<variableModifications>
+				<string>Oxidation (M)</string>
+			</variableModifications>
+			<useMultiModification>False</useMultiModification>
+			<multiModifications>
+         </multiModifications>
+			<isobaricLabels>
+         </isobaricLabels>
+			<neucodeLabels>
+         </neucodeLabels>
+			<variableModificationsFirstSearch>
+         </variableModificationsFirstSearch>
+			<hasAdditionalVariableModifications>False</hasAdditionalVariableModifications>
+			<additionalVariableModifications>
+         </additionalVariableModifications>
+			<additionalVariableModificationProteins>
+         </additionalVariableModificationProteins>
+			<doMassFiltering>True</doMassFiltering>
+			<firstSearchTol>20</firstSearchTol>
+			<mainSearchTol>4.5</mainSearchTol>
+			<searchTolInPpm>True</searchTolInPpm>
+			<isotopeMatchTol>2</isotopeMatchTol>
+			<isotopeMatchTolInPpm>True</isotopeMatchTolInPpm>
+			<isotopeTimeCorrelation>0.6</isotopeTimeCorrelation>
+			<theorIsotopeCorrelation>0.6</theorIsotopeCorrelation>
+			<checkMassDeficit>True</checkMassDeficit>
+			<recalibrationInPpm>True</recalibrationInPpm>
+			<intensityDependentCalibration>False</intensityDependentCalibration>
+			<minScoreForCalibration>70</minScoreForCalibration>
+			<matchLibraryFile>False</matchLibraryFile>
+			<libraryFile/>
+			<matchLibraryMassTolPpm>0</matchLibraryMassTolPpm>
+			<matchLibraryTimeTolMin>0</matchLibraryTimeTolMin>
+			<matchLabelTimeTolMin>0</matchLabelTimeTolMin>
+			<reporterMassTolerance>NaN</reporterMassTolerance>
+			<reporterPif>NaN</reporterPif>
+			<filterPif>False</filterPif>
+			<reporterFraction>NaN</reporterFraction>
+			<reporterBasePeakRatio>NaN</reporterBasePeakRatio>
+			<timsHalfWidth>0</timsHalfWidth>
+			<timsStep>0</timsStep>
+			<timsResolution>0</timsResolution>
+			<timsMinMsmsIntensity>0</timsMinMsmsIntensity>
+			<timsRemovePrecursor>True</timsRemovePrecursor>
+			<timsIsobaricLabels>False</timsIsobaricLabels>
+			<timsCollapseMsms>True</timsCollapseMsms>
+			<crosslinkSearch>False</crosslinkSearch>
+			<crossLinker/>
+			<minMatchXl>0</minMatchXl>
+			<minPairedPepLenXl>6</minPairedPepLenXl>
+			<crosslinkOnlyIntraProtein>False</crosslinkOnlyIntraProtein>
+			<crosslinkMaxMonoUnsaturated>0</crosslinkMaxMonoUnsaturated>
+			<crosslinkMaxMonoSaturated>0</crosslinkMaxMonoSaturated>
+			<crosslinkMaxDiUnsaturated>0</crosslinkMaxDiUnsaturated>
+			<crosslinkMaxDiSaturated>0</crosslinkMaxDiSaturated>
+			<crosslinkModifications>
+         </crosslinkModifications>
+			<crosslinkFastaFiles>
+         </crosslinkFastaFiles>
+			<crosslinkSites>
+         </crosslinkSites>
+			<crosslinkNetworkFiles>
+         </crosslinkNetworkFiles>
+			<crosslinkMode/>
+			<peakRefinement>False</peakRefinement>
+			<isobaricSumOverWindow>True</isobaricSumOverWindow>
+			<isobaricWeightExponent>0.75</isobaricWeightExponent>
+			<diaLibraryType>0</diaLibraryType>
+			<diaLibraryPath/>
+			<diaPeptidePaths>
+         </diaPeptidePaths>
+			<diaEvidencePaths>
+         </diaEvidencePaths>
+			<diaMsmsPaths>
+         </diaMsmsPaths>
+			<diaInitialPrecMassTolPpm>20</diaInitialPrecMassTolPpm>
+			<diaInitialFragMassTolPpm>20</diaInitialFragMassTolPpm>
+			<diaCorrThresholdFeatureClustering>0.85</diaCorrThresholdFeatureClustering>
+			<diaPrecTolPpmFeatureClustering>2</diaPrecTolPpmFeatureClustering>
+			<diaFragTolPpmFeatureClustering>2</diaFragTolPpmFeatureClustering>
+			<diaScoreN>7</diaScoreN>
+			<diaMinScore>2.99</diaMinScore>
+			<diaPrecursorQuant>False</diaPrecursorQuant>
+			<diaDiaTopNFragmentsForQuant>3</diaDiaTopNFragmentsForQuant>
+		</parameterGroup>
+	</parameterGroups>
+	<msmsParamsArray>
+		<msmsParams>
+			<Name>FTMS</Name>
+			<MatchTolerance>20</MatchTolerance>
+			<MatchToleranceInPpm>True</MatchToleranceInPpm>
+			<DeisotopeTolerance>7</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>10</DeNovoTolerance>
+			<DeNovoToleranceInPpm>True</DeNovoToleranceInPpm>
+			<Deisotope>True</Deisotope>
+			<Topx>12</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+		<msmsParams>
+			<Name>ITMS</Name>
+			<MatchTolerance>0.5</MatchTolerance>
+			<MatchToleranceInPpm>False</MatchToleranceInPpm>
+			<DeisotopeTolerance>0.15</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>0.25</DeNovoTolerance>
+			<DeNovoToleranceInPpm>False</DeNovoToleranceInPpm>
+			<Deisotope>False</Deisotope>
+			<Topx>8</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+		<msmsParams>
+			<Name>TOF</Name>
+			<MatchTolerance>40</MatchTolerance>
+			<MatchToleranceInPpm>True</MatchToleranceInPpm>
+			<DeisotopeTolerance>0.01</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>0.02</DeNovoTolerance>
+			<DeNovoToleranceInPpm>False</DeNovoToleranceInPpm>
+			<Deisotope>True</Deisotope>
+			<Topx>10</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+		<msmsParams>
+			<Name>Unknown</Name>
+			<MatchTolerance>20</MatchTolerance>
+			<MatchToleranceInPpm>True</MatchToleranceInPpm>
+			<DeisotopeTolerance>7</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>10</DeNovoTolerance>
+			<DeNovoToleranceInPpm>True</DeNovoToleranceInPpm>
+			<Deisotope>True</Deisotope>
+			<Topx>12</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+	</msmsParamsArray>
+	<fragmentationParamsArray>
+		<fragmentationParams>
+			<Name>CID</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>HCD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>ETD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>PQD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>ETHCD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>ETCID</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>UVPD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>Unknown</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+	</fragmentationParamsArray>
+</MaxQuantParams>
+
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/02/config.yml
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/02/config.yml	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,45 @@
+
+            fastaFiles: [/tmp/tmpQsmPD9/files/7/b/e/dataset_7be42b54-5eac-4f1d-a6bb-0b85e8f1bd67.dat]
+            parseRules:
+              identifierParseRule: '>([^\s]*)'
+              descriptionParseRule: '>(.*)'
+            minUniquePeptides: 0
+            minPepLen: 7
+            maxPeptideMass: 4600
+            calcPeakProperties: False
+            writeMzTab: True
+            separateLfq: False
+            lfqStabilizeLargeRatios: True
+            lfqRequireMsms: True
+            advancedSiteIntensities: True
+            matchBetweenRuns: False
+            paramGroups:
+              - files: ['BSA_min_23.mzXML']
+                maxMissedCleavages: 2
+                fixedModifications: []
+                variableModifications: [Oxidation (M)]
+                enzymes: [Trypsin/P]
+                lcmsRunType: 'Reporter ion MS2'
+                reporterMassTolerance: 0.003
+                reporterPif: 0
+                reporterFraction: 0
+                reporterBasePeakRatio: 0
+                isobaricLabels:
+                      - ['TMT2plex-Lys126','TMT2plex-Nter126',0.0,0.0,6.7,3.0,True]
+                      - ['TMT2plex-Lys127','TMT2plex-Nter127',0.0,0.0,0.0,0.0,True]
+              - files: ['BSA_min_22.mzxml']
+                maxMissedCleavages: 2
+                fixedModifications: []
+                variableModifications: []
+                enzymes: []
+                lcmsRunType: 'Reporter ion MS2'
+                reporterMassTolerance: 0.003
+                reporterPif: 0
+                reporterFraction: 0
+                reporterBasePeakRatio: 0
+                isobaricLabels:
+                    - [iTRAQ4plex-Lys114,iTRAQ4plex-Nter114,0,0,0,0,False]
+                    - [iTRAQ4plex-Lys115,iTRAQ4plex-Nter115,0,0,0,0,False]
+                    - [iTRAQ4plex-Lys116,iTRAQ4plex-Nter116,0,0,0,0,False]
+                    - [iTRAQ4plex-Lys117,iTRAQ4plex-Nter117,0,0,0,0,False]
+        
\ No newline at end of file
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/02/mqpar.xml
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/02/mqpar.xml	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,649 @@
+<?xml version="1.0" ?>
+<MaxQuantParams>
+	<fastaFiles>
+		<FastaFileInfo>
+			<fastaFilePath>D:\shared\dglaetzer\maxquant_tool\test1\bsa.fasta</fastaFilePath>
+			<identifierParseRule>&gt;([^\s]*)</identifierParseRule>
+			<descriptionParseRule>&gt;(.*)</descriptionParseRule>
+			<taxonomyParseRule/>
+			<variationParseRule/>
+			<modificationParseRule/>
+			<taxonomyId/>
+		</FastaFileInfo>
+	</fastaFiles>
+	<fastaFilesProteogenomics>
+   </fastaFilesProteogenomics>
+	<fastaFilesFirstSearch>
+   </fastaFilesFirstSearch>
+	<fixedSearchFolder/>
+	<andromedaCacheSize>350000</andromedaCacheSize>
+	<advancedRatios>True</advancedRatios>
+	<pvalThres>0.005</pvalThres>
+	<neucodeRatioBasedQuantification>False</neucodeRatioBasedQuantification>
+	<neucodeStabilizeLargeRatios>False</neucodeStabilizeLargeRatios>
+	<rtShift>False</rtShift>
+	<separateLfq>False</separateLfq>
+	<lfqStabilizeLargeRatios>True</lfqStabilizeLargeRatios>
+	<lfqRequireMsms>True</lfqRequireMsms>
+	<decoyMode>revert</decoyMode>
+	<boxCarMode>all</boxCarMode>
+	<includeContaminants>True</includeContaminants>
+	<maxPeptideMass>4600</maxPeptideMass>
+	<epsilonMutationScore>True</epsilonMutationScore>
+	<mutatedPeptidesSeparately>True</mutatedPeptidesSeparately>
+	<proteogenomicPeptidesSeparately>True</proteogenomicPeptidesSeparately>
+	<minDeltaScoreUnmodifiedPeptides>0</minDeltaScoreUnmodifiedPeptides>
+	<minDeltaScoreModifiedPeptides>6</minDeltaScoreModifiedPeptides>
+	<minScoreUnmodifiedPeptides>0</minScoreUnmodifiedPeptides>
+	<minScoreModifiedPeptides>40</minScoreModifiedPeptides>
+	<secondPeptide>True</secondPeptide>
+	<matchBetweenRuns>False</matchBetweenRuns>
+	<matchUnidentifiedFeatures>False</matchUnidentifiedFeatures>
+	<matchBetweenRunsFdr>False</matchBetweenRunsFdr>
+	<dependentPeptides>False</dependentPeptides>
+	<dependentPeptideFdr>0</dependentPeptideFdr>
+	<dependentPeptideMassBin>0</dependentPeptideMassBin>
+	<dependentPeptidesBetweenRuns>False</dependentPeptidesBetweenRuns>
+	<dependentPeptidesWithinExperiment>False</dependentPeptidesWithinExperiment>
+	<dependentPeptidesWithinParameterGroup>False</dependentPeptidesWithinParameterGroup>
+	<dependentPeptidesRestrictFractions>False</dependentPeptidesRestrictFractions>
+	<dependentPeptidesFractionDifference>0</dependentPeptidesFractionDifference>
+	<msmsConnection>False</msmsConnection>
+	<ibaq>False</ibaq>
+	<top3>False</top3>
+	<independentEnzymes>False</independentEnzymes>
+	<useDeltaScore>False</useDeltaScore>
+	<splitProteinGroupsByTaxonomy>False</splitProteinGroupsByTaxonomy>
+	<taxonomyLevel>Species</taxonomyLevel>
+	<avalon>False</avalon>
+	<nModColumns>3</nModColumns>
+	<ibaqLogFit>False</ibaqLogFit>
+	<razorProteinFdr>True</razorProteinFdr>
+	<deNovoSequencing>False</deNovoSequencing>
+	<deNovoVarMods>True</deNovoVarMods>
+	<massDifferenceSearch>False</massDifferenceSearch>
+	<isotopeCalc>False</isotopeCalc>
+	<writePeptidesForSpectrumFile/>
+	<intensityPredictionsFile>
+   </intensityPredictionsFile>
+	<minPepLen>7</minPepLen>
+	<psmFdrCrosslink>0.01</psmFdrCrosslink>
+	<peptideFdr>0.01</peptideFdr>
+	<proteinFdr>0.01</proteinFdr>
+	<siteFdr>0.01</siteFdr>
+	<minPeptideLengthForUnspecificSearch>8</minPeptideLengthForUnspecificSearch>
+	<maxPeptideLengthForUnspecificSearch>25</maxPeptideLengthForUnspecificSearch>
+	<useNormRatiosForOccupancy>True</useNormRatiosForOccupancy>
+	<minPeptides>1</minPeptides>
+	<minRazorPeptides>1</minRazorPeptides>
+	<minUniquePeptides>0</minUniquePeptides>
+	<useCounterparts>False</useCounterparts>
+	<advancedSiteIntensities>True</advancedSiteIntensities>
+	<customProteinQuantification>False</customProteinQuantification>
+	<customProteinQuantificationFile/>
+	<minRatioCount>2</minRatioCount>
+	<restrictProteinQuantification>True</restrictProteinQuantification>
+	<restrictMods>
+		<string>Oxidation (M)</string>
+		<string>Acetyl (Protein N-term)</string>
+	</restrictMods>
+	<matchingTimeWindow>0</matchingTimeWindow>
+	<matchingIonMobilityWindow>0</matchingIonMobilityWindow>
+	<alignmentTimeWindow>0</alignmentTimeWindow>
+	<alignmentIonMobilityWindow>0</alignmentIonMobilityWindow>
+	<numberOfCandidatesMsms>15</numberOfCandidatesMsms>
+	<compositionPrediction>0</compositionPrediction>
+	<quantMode>1</quantMode>
+	<massDifferenceMods>
+   </massDifferenceMods>
+	<mainSearchMaxCombinations>200</mainSearchMaxCombinations>
+	<writeMsScansTable>False</writeMsScansTable>
+	<writeMsmsScansTable>True</writeMsmsScansTable>
+	<writePasefMsmsScansTable>True</writePasefMsmsScansTable>
+	<writeAccumulatedPasefMsmsScansTable>True</writeAccumulatedPasefMsmsScansTable>
+	<writeMs3ScansTable>True</writeMs3ScansTable>
+	<writeAllPeptidesTable>True</writeAllPeptidesTable>
+	<writeMzRangeTable>True</writeMzRangeTable>
+	<writeMzTab>True</writeMzTab>
+	<disableMd5>False</disableMd5>
+	<cacheBinInds>True</cacheBinInds>
+	<etdIncludeB>False</etdIncludeB>
+	<ms2PrecursorShift>0</ms2PrecursorShift>
+	<complementaryIonPpm>20</complementaryIonPpm>
+	<variationParseRule/>
+	<variationMode>none</variationMode>
+	<useSeriesReporters>False</useSeriesReporters>
+	<name>session1</name>
+	<maxQuantVersion>1.6.10.43</maxQuantVersion>
+	<tempFolder/>
+	<pluginFolder/>
+	<numThreads>1</numThreads>
+	<emailAddress/>
+	<smtpHost/>
+	<emailFromAddress/>
+	<fixedCombinedFolder/>
+	<fullMinMz>-1.79589544172745E+308</fullMinMz>
+	<fullMaxMz>1.79589544172745E+308</fullMaxMz>
+	<sendEmail>False</sendEmail>
+	<ionCountIntensities>False</ionCountIntensities>
+	<verboseColumnHeaders>False</verboseColumnHeaders>
+	<calcPeakProperties>False</calcPeakProperties>
+	<showCentroidMassDifferences>False</showCentroidMassDifferences>
+	<showIsotopeMassDifferences>False</showIsotopeMassDifferences>
+	<useDotNetCore>False</useDotNetCore>
+	<filePaths>
+		<string>D:\shared\dglaetzer\maxquant_tool\test1\BSA_min_23.mzXML</string>
+		<string>D:\shared\dglaetzer\maxquant_tool\test2\BSA_min_22.mzXML</string>
+	</filePaths>
+	<experiments>
+		<string>BSA_min_23.mzXML</string>
+		<string>BSA_min_22.mzxml</string>
+	</experiments>
+	<fractions>
+		<short>32767</short>
+		<short>32767</short>
+	</fractions>
+	<ptms>
+		<boolean>False</boolean>
+		<boolean>False</boolean>
+	</ptms>
+	<paramGroupIndices>
+		<int>0</int>
+		<int>1</int>
+	</paramGroupIndices>
+	<referenceChannel>
+		<string/>
+		<string/>
+	</referenceChannel>
+	<intensPred>False</intensPred>
+	<intensPredModelReTrain>False</intensPredModelReTrain>
+	<parameterGroups>
+		<parameterGroup>
+			<msInstrument>0</msInstrument>
+			<maxCharge>7</maxCharge>
+			<minPeakLen>2</minPeakLen>
+			<diaMinPeakLen>2</diaMinPeakLen>
+			<useMs1Centroids>False</useMs1Centroids>
+			<useMs2Centroids>False</useMs2Centroids>
+			<cutPeaks>True</cutPeaks>
+			<gapScans>1</gapScans>
+			<minTime>NaN</minTime>
+			<maxTime>NaN</maxTime>
+			<matchType>MatchFromAndTo</matchType>
+			<intensityDetermination>0</intensityDetermination>
+			<centroidMatchTol>8</centroidMatchTol>
+			<centroidMatchTolInPpm>True</centroidMatchTolInPpm>
+			<centroidHalfWidth>35</centroidHalfWidth>
+			<centroidHalfWidthInPpm>True</centroidHalfWidthInPpm>
+			<valleyFactor>1.4</valleyFactor>
+			<isotopeValleyFactor>1.2</isotopeValleyFactor>
+			<advancedPeakSplitting>False</advancedPeakSplitting>
+			<intensityThreshold>0</intensityThreshold>
+			<labelMods>
+				<string/>
+			</labelMods>
+			<lcmsRunType>Reporter ion MS2</lcmsRunType>
+			<reQuantify>False</reQuantify>
+			<lfqMode>0</lfqMode>
+			<lfqSkipNorm>False</lfqSkipNorm>
+			<lfqMinEdgesPerNode>3</lfqMinEdgesPerNode>
+			<lfqAvEdgesPerNode>6</lfqAvEdgesPerNode>
+			<lfqMaxFeatures>100000</lfqMaxFeatures>
+			<neucodeMaxPpm>0</neucodeMaxPpm>
+			<neucodeResolution>0</neucodeResolution>
+			<neucodeResolutionInMda>False</neucodeResolutionInMda>
+			<neucodeInSilicoLowRes>False</neucodeInSilicoLowRes>
+			<fastLfq>True</fastLfq>
+			<lfqRestrictFeatures>False</lfqRestrictFeatures>
+			<lfqMinRatioCount>2</lfqMinRatioCount>
+			<maxLabeledAa>0</maxLabeledAa>
+			<maxNmods>5</maxNmods>
+			<maxMissedCleavages>2</maxMissedCleavages>
+			<multiplicity>1</multiplicity>
+			<enzymeMode>0</enzymeMode>
+			<complementaryReporterType>0</complementaryReporterType>
+			<reporterNormalization>0</reporterNormalization>
+			<neucodeIntensityMode>0</neucodeIntensityMode>
+			<fixedModifications>
+         </fixedModifications>
+			<enzymes>
+				<string>Trypsin/P</string>
+			</enzymes>
+			<enzymesFirstSearch>
+         </enzymesFirstSearch>
+			<enzymeModeFirstSearch>0</enzymeModeFirstSearch>
+			<useEnzymeFirstSearch>False</useEnzymeFirstSearch>
+			<useVariableModificationsFirstSearch>False</useVariableModificationsFirstSearch>
+			<variableModifications>
+				<string>Oxidation (M)</string>
+			</variableModifications>
+			<useMultiModification>False</useMultiModification>
+			<multiModifications>
+         </multiModifications>
+			<isobaricLabels>
+				<IsobaricLabelInfo>
+					<internalLabel>TMT2plex-Lys126</internalLabel>
+					<terminalLabel>TMT2plex-Nter126</terminalLabel>
+					<correctionFactorM2>0</correctionFactorM2>
+					<correctionFactorM1>0</correctionFactorM1>
+					<correctionFactorP1>6.7</correctionFactorP1>
+					<correctionFactorP2>3</correctionFactorP2>
+					<tmtLike>True</tmtLike>
+				</IsobaricLabelInfo>
+				<IsobaricLabelInfo>
+					<internalLabel>TMT2plex-Lys127</internalLabel>
+					<terminalLabel>TMT2plex-Nter127</terminalLabel>
+					<correctionFactorM2>0</correctionFactorM2>
+					<correctionFactorM1>0</correctionFactorM1>
+					<correctionFactorP1>0</correctionFactorP1>
+					<correctionFactorP2>0</correctionFactorP2>
+					<tmtLike>True</tmtLike>
+				</IsobaricLabelInfo>
+			</isobaricLabels>
+			<neucodeLabels>
+         </neucodeLabels>
+			<variableModificationsFirstSearch>
+         </variableModificationsFirstSearch>
+			<hasAdditionalVariableModifications>False</hasAdditionalVariableModifications>
+			<additionalVariableModifications>
+         </additionalVariableModifications>
+			<additionalVariableModificationProteins>
+         </additionalVariableModificationProteins>
+			<doMassFiltering>True</doMassFiltering>
+			<firstSearchTol>20</firstSearchTol>
+			<mainSearchTol>4.5</mainSearchTol>
+			<searchTolInPpm>True</searchTolInPpm>
+			<isotopeMatchTol>2</isotopeMatchTol>
+			<isotopeMatchTolInPpm>True</isotopeMatchTolInPpm>
+			<isotopeTimeCorrelation>0.6</isotopeTimeCorrelation>
+			<theorIsotopeCorrelation>0.6</theorIsotopeCorrelation>
+			<checkMassDeficit>True</checkMassDeficit>
+			<recalibrationInPpm>True</recalibrationInPpm>
+			<intensityDependentCalibration>False</intensityDependentCalibration>
+			<minScoreForCalibration>70</minScoreForCalibration>
+			<matchLibraryFile>False</matchLibraryFile>
+			<libraryFile/>
+			<matchLibraryMassTolPpm>0</matchLibraryMassTolPpm>
+			<matchLibraryTimeTolMin>0</matchLibraryTimeTolMin>
+			<matchLabelTimeTolMin>0</matchLabelTimeTolMin>
+			<reporterMassTolerance>0.003</reporterMassTolerance>
+			<reporterPif>0</reporterPif>
+			<filterPif>False</filterPif>
+			<reporterFraction>0</reporterFraction>
+			<reporterBasePeakRatio>0</reporterBasePeakRatio>
+			<timsHalfWidth>0</timsHalfWidth>
+			<timsStep>0</timsStep>
+			<timsResolution>0</timsResolution>
+			<timsMinMsmsIntensity>0</timsMinMsmsIntensity>
+			<timsRemovePrecursor>True</timsRemovePrecursor>
+			<timsIsobaricLabels>False</timsIsobaricLabels>
+			<timsCollapseMsms>True</timsCollapseMsms>
+			<crosslinkSearch>False</crosslinkSearch>
+			<crossLinker/>
+			<minMatchXl>0</minMatchXl>
+			<minPairedPepLenXl>6</minPairedPepLenXl>
+			<crosslinkOnlyIntraProtein>False</crosslinkOnlyIntraProtein>
+			<crosslinkMaxMonoUnsaturated>0</crosslinkMaxMonoUnsaturated>
+			<crosslinkMaxMonoSaturated>0</crosslinkMaxMonoSaturated>
+			<crosslinkMaxDiUnsaturated>0</crosslinkMaxDiUnsaturated>
+			<crosslinkMaxDiSaturated>0</crosslinkMaxDiSaturated>
+			<crosslinkModifications>
+         </crosslinkModifications>
+			<crosslinkFastaFiles>
+         </crosslinkFastaFiles>
+			<crosslinkSites>
+         </crosslinkSites>
+			<crosslinkNetworkFiles>
+         </crosslinkNetworkFiles>
+			<crosslinkMode/>
+			<peakRefinement>False</peakRefinement>
+			<isobaricSumOverWindow>True</isobaricSumOverWindow>
+			<isobaricWeightExponent>0.75</isobaricWeightExponent>
+			<diaLibraryType>0</diaLibraryType>
+			<diaLibraryPath/>
+			<diaPeptidePaths>
+         </diaPeptidePaths>
+			<diaEvidencePaths>
+         </diaEvidencePaths>
+			<diaMsmsPaths>
+         </diaMsmsPaths>
+			<diaInitialPrecMassTolPpm>20</diaInitialPrecMassTolPpm>
+			<diaInitialFragMassTolPpm>20</diaInitialFragMassTolPpm>
+			<diaCorrThresholdFeatureClustering>0.85</diaCorrThresholdFeatureClustering>
+			<diaPrecTolPpmFeatureClustering>2</diaPrecTolPpmFeatureClustering>
+			<diaFragTolPpmFeatureClustering>2</diaFragTolPpmFeatureClustering>
+			<diaScoreN>7</diaScoreN>
+			<diaMinScore>2.99</diaMinScore>
+			<diaPrecursorQuant>False</diaPrecursorQuant>
+			<diaDiaTopNFragmentsForQuant>3</diaDiaTopNFragmentsForQuant>
+		</parameterGroup>
+		<parameterGroup>
+			<msInstrument>0</msInstrument>
+			<maxCharge>7</maxCharge>
+			<minPeakLen>2</minPeakLen>
+			<diaMinPeakLen>2</diaMinPeakLen>
+			<useMs1Centroids>False</useMs1Centroids>
+			<useMs2Centroids>False</useMs2Centroids>
+			<cutPeaks>True</cutPeaks>
+			<gapScans>1</gapScans>
+			<minTime>NaN</minTime>
+			<maxTime>NaN</maxTime>
+			<matchType>MatchFromAndTo</matchType>
+			<intensityDetermination>0</intensityDetermination>
+			<centroidMatchTol>8</centroidMatchTol>
+			<centroidMatchTolInPpm>True</centroidMatchTolInPpm>
+			<centroidHalfWidth>35</centroidHalfWidth>
+			<centroidHalfWidthInPpm>True</centroidHalfWidthInPpm>
+			<valleyFactor>1.4</valleyFactor>
+			<isotopeValleyFactor>1.2</isotopeValleyFactor>
+			<advancedPeakSplitting>False</advancedPeakSplitting>
+			<intensityThreshold>0</intensityThreshold>
+			<labelMods>
+				<string/>
+			</labelMods>
+			<lcmsRunType>Reporter ion MS2</lcmsRunType>
+			<reQuantify>False</reQuantify>
+			<lfqMode>0</lfqMode>
+			<lfqSkipNorm>False</lfqSkipNorm>
+			<lfqMinEdgesPerNode>3</lfqMinEdgesPerNode>
+			<lfqAvEdgesPerNode>6</lfqAvEdgesPerNode>
+			<lfqMaxFeatures>100000</lfqMaxFeatures>
+			<neucodeMaxPpm>0</neucodeMaxPpm>
+			<neucodeResolution>0</neucodeResolution>
+			<neucodeResolutionInMda>False</neucodeResolutionInMda>
+			<neucodeInSilicoLowRes>False</neucodeInSilicoLowRes>
+			<fastLfq>True</fastLfq>
+			<lfqRestrictFeatures>False</lfqRestrictFeatures>
+			<lfqMinRatioCount>2</lfqMinRatioCount>
+			<maxLabeledAa>0</maxLabeledAa>
+			<maxNmods>5</maxNmods>
+			<maxMissedCleavages>2</maxMissedCleavages>
+			<multiplicity>1</multiplicity>
+			<enzymeMode>0</enzymeMode>
+			<complementaryReporterType>0</complementaryReporterType>
+			<reporterNormalization>0</reporterNormalization>
+			<neucodeIntensityMode>0</neucodeIntensityMode>
+			<fixedModifications>
+         </fixedModifications>
+			<enzymes>
+         </enzymes>
+			<enzymesFirstSearch>
+         </enzymesFirstSearch>
+			<enzymeModeFirstSearch>0</enzymeModeFirstSearch>
+			<useEnzymeFirstSearch>False</useEnzymeFirstSearch>
+			<useVariableModificationsFirstSearch>False</useVariableModificationsFirstSearch>
+			<variableModifications>
+         </variableModifications>
+			<useMultiModification>False</useMultiModification>
+			<multiModifications>
+         </multiModifications>
+			<isobaricLabels>
+				<IsobaricLabelInfo>
+					<internalLabel>iTRAQ4plex-Lys114</internalLabel>
+					<terminalLabel>iTRAQ4plex-Nter114</terminalLabel>
+					<correctionFactorM2>0</correctionFactorM2>
+					<correctionFactorM1>0</correctionFactorM1>
+					<correctionFactorP1>0</correctionFactorP1>
+					<correctionFactorP2>0</correctionFactorP2>
+					<tmtLike>False</tmtLike>
+				</IsobaricLabelInfo>
+				<IsobaricLabelInfo>
+					<internalLabel>iTRAQ4plex-Lys115</internalLabel>
+					<terminalLabel>iTRAQ4plex-Nter115</terminalLabel>
+					<correctionFactorM2>0</correctionFactorM2>
+					<correctionFactorM1>0</correctionFactorM1>
+					<correctionFactorP1>0</correctionFactorP1>
+					<correctionFactorP2>0</correctionFactorP2>
+					<tmtLike>False</tmtLike>
+				</IsobaricLabelInfo>
+				<IsobaricLabelInfo>
+					<internalLabel>iTRAQ4plex-Lys116</internalLabel>
+					<terminalLabel>iTRAQ4plex-Nter116</terminalLabel>
+					<correctionFactorM2>0</correctionFactorM2>
+					<correctionFactorM1>0</correctionFactorM1>
+					<correctionFactorP1>0</correctionFactorP1>
+					<correctionFactorP2>0</correctionFactorP2>
+					<tmtLike>False</tmtLike>
+				</IsobaricLabelInfo>
+				<IsobaricLabelInfo>
+					<internalLabel>iTRAQ4plex-Lys117</internalLabel>
+					<terminalLabel>iTRAQ4plex-Nter117</terminalLabel>
+					<correctionFactorM2>0</correctionFactorM2>
+					<correctionFactorM1>0</correctionFactorM1>
+					<correctionFactorP1>0</correctionFactorP1>
+					<correctionFactorP2>0</correctionFactorP2>
+					<tmtLike>False</tmtLike>
+				</IsobaricLabelInfo>
+			</isobaricLabels>
+			<neucodeLabels>
+         </neucodeLabels>
+			<variableModificationsFirstSearch>
+         </variableModificationsFirstSearch>
+			<hasAdditionalVariableModifications>False</hasAdditionalVariableModifications>
+			<additionalVariableModifications>
+         </additionalVariableModifications>
+			<additionalVariableModificationProteins>
+         </additionalVariableModificationProteins>
+			<doMassFiltering>True</doMassFiltering>
+			<firstSearchTol>20</firstSearchTol>
+			<mainSearchTol>4.5</mainSearchTol>
+			<searchTolInPpm>True</searchTolInPpm>
+			<isotopeMatchTol>2</isotopeMatchTol>
+			<isotopeMatchTolInPpm>True</isotopeMatchTolInPpm>
+			<isotopeTimeCorrelation>0.6</isotopeTimeCorrelation>
+			<theorIsotopeCorrelation>0.6</theorIsotopeCorrelation>
+			<checkMassDeficit>True</checkMassDeficit>
+			<recalibrationInPpm>True</recalibrationInPpm>
+			<intensityDependentCalibration>False</intensityDependentCalibration>
+			<minScoreForCalibration>70</minScoreForCalibration>
+			<matchLibraryFile>False</matchLibraryFile>
+			<libraryFile/>
+			<matchLibraryMassTolPpm>0</matchLibraryMassTolPpm>
+			<matchLibraryTimeTolMin>0</matchLibraryTimeTolMin>
+			<matchLabelTimeTolMin>0</matchLabelTimeTolMin>
+			<reporterMassTolerance>0.003</reporterMassTolerance>
+			<reporterPif>0</reporterPif>
+			<filterPif>False</filterPif>
+			<reporterFraction>0</reporterFraction>
+			<reporterBasePeakRatio>0</reporterBasePeakRatio>
+			<timsHalfWidth>0</timsHalfWidth>
+			<timsStep>0</timsStep>
+			<timsResolution>0</timsResolution>
+			<timsMinMsmsIntensity>0</timsMinMsmsIntensity>
+			<timsRemovePrecursor>True</timsRemovePrecursor>
+			<timsIsobaricLabels>False</timsIsobaricLabels>
+			<timsCollapseMsms>True</timsCollapseMsms>
+			<crosslinkSearch>False</crosslinkSearch>
+			<crossLinker/>
+			<minMatchXl>0</minMatchXl>
+			<minPairedPepLenXl>6</minPairedPepLenXl>
+			<crosslinkOnlyIntraProtein>False</crosslinkOnlyIntraProtein>
+			<crosslinkMaxMonoUnsaturated>0</crosslinkMaxMonoUnsaturated>
+			<crosslinkMaxMonoSaturated>0</crosslinkMaxMonoSaturated>
+			<crosslinkMaxDiUnsaturated>0</crosslinkMaxDiUnsaturated>
+			<crosslinkMaxDiSaturated>0</crosslinkMaxDiSaturated>
+			<crosslinkModifications>
+         </crosslinkModifications>
+			<crosslinkFastaFiles>
+         </crosslinkFastaFiles>
+			<crosslinkSites>
+         </crosslinkSites>
+			<crosslinkNetworkFiles>
+         </crosslinkNetworkFiles>
+			<crosslinkMode/>
+			<peakRefinement>False</peakRefinement>
+			<isobaricSumOverWindow>True</isobaricSumOverWindow>
+			<isobaricWeightExponent>0.75</isobaricWeightExponent>
+			<diaLibraryType>0</diaLibraryType>
+			<diaLibraryPath/>
+			<diaPeptidePaths>
+         </diaPeptidePaths>
+			<diaEvidencePaths>
+         </diaEvidencePaths>
+			<diaMsmsPaths>
+         </diaMsmsPaths>
+			<diaInitialPrecMassTolPpm>20</diaInitialPrecMassTolPpm>
+			<diaInitialFragMassTolPpm>20</diaInitialFragMassTolPpm>
+			<diaCorrThresholdFeatureClustering>0.85</diaCorrThresholdFeatureClustering>
+			<diaPrecTolPpmFeatureClustering>2</diaPrecTolPpmFeatureClustering>
+			<diaFragTolPpmFeatureClustering>2</diaFragTolPpmFeatureClustering>
+			<diaScoreN>7</diaScoreN>
+			<diaMinScore>2.99</diaMinScore>
+			<diaPrecursorQuant>False</diaPrecursorQuant>
+			<diaDiaTopNFragmentsForQuant>3</diaDiaTopNFragmentsForQuant>
+		</parameterGroup>
+	</parameterGroups>
+	<msmsParamsArray>
+		<msmsParams>
+			<Name>FTMS</Name>
+			<MatchTolerance>20</MatchTolerance>
+			<MatchToleranceInPpm>True</MatchToleranceInPpm>
+			<DeisotopeTolerance>7</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>10</DeNovoTolerance>
+			<DeNovoToleranceInPpm>True</DeNovoToleranceInPpm>
+			<Deisotope>True</Deisotope>
+			<Topx>12</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+		<msmsParams>
+			<Name>ITMS</Name>
+			<MatchTolerance>0.5</MatchTolerance>
+			<MatchToleranceInPpm>False</MatchToleranceInPpm>
+			<DeisotopeTolerance>0.15</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>0.25</DeNovoTolerance>
+			<DeNovoToleranceInPpm>False</DeNovoToleranceInPpm>
+			<Deisotope>False</Deisotope>
+			<Topx>8</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+		<msmsParams>
+			<Name>TOF</Name>
+			<MatchTolerance>40</MatchTolerance>
+			<MatchToleranceInPpm>True</MatchToleranceInPpm>
+			<DeisotopeTolerance>0.01</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>0.02</DeNovoTolerance>
+			<DeNovoToleranceInPpm>False</DeNovoToleranceInPpm>
+			<Deisotope>True</Deisotope>
+			<Topx>10</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+		<msmsParams>
+			<Name>Unknown</Name>
+			<MatchTolerance>20</MatchTolerance>
+			<MatchToleranceInPpm>True</MatchToleranceInPpm>
+			<DeisotopeTolerance>7</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>10</DeNovoTolerance>
+			<DeNovoToleranceInPpm>True</DeNovoToleranceInPpm>
+			<Deisotope>True</Deisotope>
+			<Topx>12</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+	</msmsParamsArray>
+	<fragmentationParamsArray>
+		<fragmentationParams>
+			<Name>CID</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>HCD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>ETD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>PQD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>ETHCD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>ETCID</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>UVPD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>Unknown</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+	</fragmentationParamsArray>
+</MaxQuantParams>
+
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/03/config.yml
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/03/config.yml	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,29 @@
+
+            fastaFiles: [/tmp/tmpQsmPD9/files/7/b/e/dataset_7be42b54-5eac-4f1d-a6bb-0b85e8f1bd67.dat]
+            parseRules:
+              identifierParseRule: '^>.*\|(.*)\|.*$'
+              descriptionParseRule: '^>.*\|.*\|[^ ]+ (.*) OS.*$'
+            minUniquePeptides: 1
+            minPepLen: 7
+            maxPeptideMass: 4600
+            calcPeakProperties: False
+            writeMzTab: False
+            ibaq: True
+            ibaqLogFit: False
+            separateLfq: False
+            lfqStabilizeLargeRatios: True
+            lfqRequireMsms: True
+            advancedSiteIntensities: True
+            matchBetweenRuns: False
+            paramGroups:
+              - files: ['BSA_min_22.mzxml']
+                maxMissedCleavages: 1
+                fixedModifications: [Carbamidomethyl (C)]
+                variableModifications: [Oxidation (M)]
+                enzymes: [Trypsin/P]
+                lfqMode: 1
+                lfqSkipNorm: True
+                lfqMinEdgesPerNode: 3
+                lfqAvEdgesPerNode: 6
+                lfqMinRatioCount: 2
+        
\ No newline at end of file
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/03/mqpar.xml
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/03/mqpar.xml	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,451 @@
+<?xml version="1.0" ?>
+<MaxQuantParams>
+	<fastaFiles>
+		<FastaFileInfo>
+			<fastaFilePath>D:\shared\dglaetzer\maxquant_tool\test1\bsa.fasta</fastaFilePath>
+			<identifierParseRule>^&gt;.*\|(.*)\|.*$</identifierParseRule>
+			<descriptionParseRule>^&gt;.*\|.*\|[^ ]+ (.*) OS.*$</descriptionParseRule>
+			<taxonomyParseRule/>
+			<variationParseRule/>
+			<modificationParseRule/>
+			<taxonomyId/>
+		</FastaFileInfo>
+	</fastaFiles>
+	<fastaFilesProteogenomics>
+   </fastaFilesProteogenomics>
+	<fastaFilesFirstSearch>
+   </fastaFilesFirstSearch>
+	<fixedSearchFolder/>
+	<andromedaCacheSize>350000</andromedaCacheSize>
+	<advancedRatios>True</advancedRatios>
+	<pvalThres>0.005</pvalThres>
+	<neucodeRatioBasedQuantification>False</neucodeRatioBasedQuantification>
+	<neucodeStabilizeLargeRatios>False</neucodeStabilizeLargeRatios>
+	<rtShift>False</rtShift>
+	<separateLfq>False</separateLfq>
+	<lfqStabilizeLargeRatios>True</lfqStabilizeLargeRatios>
+	<lfqRequireMsms>True</lfqRequireMsms>
+	<decoyMode>revert</decoyMode>
+	<boxCarMode>all</boxCarMode>
+	<includeContaminants>True</includeContaminants>
+	<maxPeptideMass>4600</maxPeptideMass>
+	<epsilonMutationScore>True</epsilonMutationScore>
+	<mutatedPeptidesSeparately>True</mutatedPeptidesSeparately>
+	<proteogenomicPeptidesSeparately>True</proteogenomicPeptidesSeparately>
+	<minDeltaScoreUnmodifiedPeptides>0</minDeltaScoreUnmodifiedPeptides>
+	<minDeltaScoreModifiedPeptides>6</minDeltaScoreModifiedPeptides>
+	<minScoreUnmodifiedPeptides>0</minScoreUnmodifiedPeptides>
+	<minScoreModifiedPeptides>40</minScoreModifiedPeptides>
+	<secondPeptide>True</secondPeptide>
+	<matchBetweenRuns>False</matchBetweenRuns>
+	<matchUnidentifiedFeatures>False</matchUnidentifiedFeatures>
+	<matchBetweenRunsFdr>False</matchBetweenRunsFdr>
+	<dependentPeptides>False</dependentPeptides>
+	<dependentPeptideFdr>0</dependentPeptideFdr>
+	<dependentPeptideMassBin>0</dependentPeptideMassBin>
+	<dependentPeptidesBetweenRuns>False</dependentPeptidesBetweenRuns>
+	<dependentPeptidesWithinExperiment>False</dependentPeptidesWithinExperiment>
+	<dependentPeptidesWithinParameterGroup>False</dependentPeptidesWithinParameterGroup>
+	<dependentPeptidesRestrictFractions>False</dependentPeptidesRestrictFractions>
+	<dependentPeptidesFractionDifference>0</dependentPeptidesFractionDifference>
+	<msmsConnection>False</msmsConnection>
+	<ibaq>True</ibaq>
+	<top3>False</top3>
+	<independentEnzymes>False</independentEnzymes>
+	<useDeltaScore>False</useDeltaScore>
+	<splitProteinGroupsByTaxonomy>False</splitProteinGroupsByTaxonomy>
+	<taxonomyLevel>Species</taxonomyLevel>
+	<avalon>False</avalon>
+	<nModColumns>3</nModColumns>
+	<ibaqLogFit>False</ibaqLogFit>
+	<razorProteinFdr>True</razorProteinFdr>
+	<deNovoSequencing>False</deNovoSequencing>
+	<deNovoVarMods>True</deNovoVarMods>
+	<massDifferenceSearch>False</massDifferenceSearch>
+	<isotopeCalc>False</isotopeCalc>
+	<writePeptidesForSpectrumFile/>
+	<intensityPredictionsFile>
+   </intensityPredictionsFile>
+	<minPepLen>7</minPepLen>
+	<psmFdrCrosslink>0.01</psmFdrCrosslink>
+	<peptideFdr>0.01</peptideFdr>
+	<proteinFdr>0.01</proteinFdr>
+	<siteFdr>0.01</siteFdr>
+	<minPeptideLengthForUnspecificSearch>8</minPeptideLengthForUnspecificSearch>
+	<maxPeptideLengthForUnspecificSearch>25</maxPeptideLengthForUnspecificSearch>
+	<useNormRatiosForOccupancy>True</useNormRatiosForOccupancy>
+	<minPeptides>1</minPeptides>
+	<minRazorPeptides>1</minRazorPeptides>
+	<minUniquePeptides>1</minUniquePeptides>
+	<useCounterparts>False</useCounterparts>
+	<advancedSiteIntensities>True</advancedSiteIntensities>
+	<customProteinQuantification>False</customProteinQuantification>
+	<customProteinQuantificationFile/>
+	<minRatioCount>2</minRatioCount>
+	<restrictProteinQuantification>True</restrictProteinQuantification>
+	<restrictMods>
+		<string>Oxidation (M)</string>
+		<string>Acetyl (Protein N-term)</string>
+	</restrictMods>
+	<matchingTimeWindow>0</matchingTimeWindow>
+	<matchingIonMobilityWindow>0</matchingIonMobilityWindow>
+	<alignmentTimeWindow>0</alignmentTimeWindow>
+	<alignmentIonMobilityWindow>0</alignmentIonMobilityWindow>
+	<numberOfCandidatesMsms>15</numberOfCandidatesMsms>
+	<compositionPrediction>0</compositionPrediction>
+	<quantMode>1</quantMode>
+	<massDifferenceMods>
+   </massDifferenceMods>
+	<mainSearchMaxCombinations>200</mainSearchMaxCombinations>
+	<writeMsScansTable>False</writeMsScansTable>
+	<writeMsmsScansTable>True</writeMsmsScansTable>
+	<writePasefMsmsScansTable>True</writePasefMsmsScansTable>
+	<writeAccumulatedPasefMsmsScansTable>True</writeAccumulatedPasefMsmsScansTable>
+	<writeMs3ScansTable>True</writeMs3ScansTable>
+	<writeAllPeptidesTable>True</writeAllPeptidesTable>
+	<writeMzRangeTable>True</writeMzRangeTable>
+	<writeMzTab>False</writeMzTab>
+	<disableMd5>False</disableMd5>
+	<cacheBinInds>True</cacheBinInds>
+	<etdIncludeB>False</etdIncludeB>
+	<ms2PrecursorShift>0</ms2PrecursorShift>
+	<complementaryIonPpm>20</complementaryIonPpm>
+	<variationParseRule/>
+	<variationMode>none</variationMode>
+	<useSeriesReporters>False</useSeriesReporters>
+	<name>session1</name>
+	<maxQuantVersion>1.6.10.43</maxQuantVersion>
+	<tempFolder/>
+	<pluginFolder/>
+	<numThreads>1</numThreads>
+	<emailAddress/>
+	<smtpHost/>
+	<emailFromAddress/>
+	<fixedCombinedFolder/>
+	<fullMinMz>-1.79589544172745E+308</fullMinMz>
+	<fullMaxMz>1.79589544172745E+308</fullMaxMz>
+	<sendEmail>False</sendEmail>
+	<ionCountIntensities>False</ionCountIntensities>
+	<verboseColumnHeaders>False</verboseColumnHeaders>
+	<calcPeakProperties>False</calcPeakProperties>
+	<showCentroidMassDifferences>False</showCentroidMassDifferences>
+	<showIsotopeMassDifferences>False</showIsotopeMassDifferences>
+	<useDotNetCore>False</useDotNetCore>
+	<filePaths>
+		<string>D:\shared\dglaetzer\maxquant_tool\test3\BSA_min_22.mzXML</string>
+	</filePaths>
+	<experiments>
+		<string>BSA_min_22.mzxml</string>
+	</experiments>
+	<fractions>
+		<short>32767</short>
+	</fractions>
+	<ptms>
+		<boolean>False</boolean>
+	</ptms>
+	<paramGroupIndices>
+		<int>0</int>
+	</paramGroupIndices>
+	<referenceChannel>
+		<string/>
+	</referenceChannel>
+	<intensPred>False</intensPred>
+	<intensPredModelReTrain>False</intensPredModelReTrain>
+	<parameterGroups>
+		<parameterGroup>
+			<msInstrument>0</msInstrument>
+			<maxCharge>7</maxCharge>
+			<minPeakLen>2</minPeakLen>
+			<diaMinPeakLen>2</diaMinPeakLen>
+			<useMs1Centroids>False</useMs1Centroids>
+			<useMs2Centroids>False</useMs2Centroids>
+			<cutPeaks>True</cutPeaks>
+			<gapScans>1</gapScans>
+			<minTime>NaN</minTime>
+			<maxTime>NaN</maxTime>
+			<matchType>MatchFromAndTo</matchType>
+			<intensityDetermination>0</intensityDetermination>
+			<centroidMatchTol>8</centroidMatchTol>
+			<centroidMatchTolInPpm>True</centroidMatchTolInPpm>
+			<centroidHalfWidth>35</centroidHalfWidth>
+			<centroidHalfWidthInPpm>True</centroidHalfWidthInPpm>
+			<valleyFactor>1.4</valleyFactor>
+			<isotopeValleyFactor>1.2</isotopeValleyFactor>
+			<advancedPeakSplitting>False</advancedPeakSplitting>
+			<intensityThreshold>0</intensityThreshold>
+			<labelMods>
+				<string/>
+			</labelMods>
+			<lcmsRunType>Standard</lcmsRunType>
+			<reQuantify>False</reQuantify>
+			<lfqMode>1</lfqMode>
+			<lfqSkipNorm>True</lfqSkipNorm>
+			<lfqMinEdgesPerNode>3</lfqMinEdgesPerNode>
+			<lfqAvEdgesPerNode>6</lfqAvEdgesPerNode>
+			<lfqMaxFeatures>100000</lfqMaxFeatures>
+			<neucodeMaxPpm>0</neucodeMaxPpm>
+			<neucodeResolution>0</neucodeResolution>
+			<neucodeResolutionInMda>False</neucodeResolutionInMda>
+			<neucodeInSilicoLowRes>False</neucodeInSilicoLowRes>
+			<fastLfq>True</fastLfq>
+			<lfqRestrictFeatures>False</lfqRestrictFeatures>
+			<lfqMinRatioCount>2</lfqMinRatioCount>
+			<maxLabeledAa>0</maxLabeledAa>
+			<maxNmods>5</maxNmods>
+			<maxMissedCleavages>1</maxMissedCleavages>
+			<multiplicity>1</multiplicity>
+			<enzymeMode>0</enzymeMode>
+			<complementaryReporterType>0</complementaryReporterType>
+			<reporterNormalization>0</reporterNormalization>
+			<neucodeIntensityMode>0</neucodeIntensityMode>
+			<fixedModifications>
+				<string>Carbamidomethyl (C)</string>
+			</fixedModifications>
+			<enzymes>
+				<string>Trypsin/P</string>
+			</enzymes>
+			<enzymesFirstSearch>
+         </enzymesFirstSearch>
+			<enzymeModeFirstSearch>0</enzymeModeFirstSearch>
+			<useEnzymeFirstSearch>False</useEnzymeFirstSearch>
+			<useVariableModificationsFirstSearch>False</useVariableModificationsFirstSearch>
+			<variableModifications>
+				<string>Oxidation (M)</string>
+			</variableModifications>
+			<useMultiModification>False</useMultiModification>
+			<multiModifications>
+         </multiModifications>
+			<isobaricLabels>
+         </isobaricLabels>
+			<neucodeLabels>
+         </neucodeLabels>
+			<variableModificationsFirstSearch>
+         </variableModificationsFirstSearch>
+			<hasAdditionalVariableModifications>False</hasAdditionalVariableModifications>
+			<additionalVariableModifications>
+         </additionalVariableModifications>
+			<additionalVariableModificationProteins>
+         </additionalVariableModificationProteins>
+			<doMassFiltering>True</doMassFiltering>
+			<firstSearchTol>20</firstSearchTol>
+			<mainSearchTol>4.5</mainSearchTol>
+			<searchTolInPpm>True</searchTolInPpm>
+			<isotopeMatchTol>2</isotopeMatchTol>
+			<isotopeMatchTolInPpm>True</isotopeMatchTolInPpm>
+			<isotopeTimeCorrelation>0.6</isotopeTimeCorrelation>
+			<theorIsotopeCorrelation>0.6</theorIsotopeCorrelation>
+			<checkMassDeficit>True</checkMassDeficit>
+			<recalibrationInPpm>True</recalibrationInPpm>
+			<intensityDependentCalibration>False</intensityDependentCalibration>
+			<minScoreForCalibration>70</minScoreForCalibration>
+			<matchLibraryFile>False</matchLibraryFile>
+			<libraryFile/>
+			<matchLibraryMassTolPpm>0</matchLibraryMassTolPpm>
+			<matchLibraryTimeTolMin>0</matchLibraryTimeTolMin>
+			<matchLabelTimeTolMin>0</matchLabelTimeTolMin>
+			<reporterMassTolerance>NaN</reporterMassTolerance>
+			<reporterPif>NaN</reporterPif>
+			<filterPif>False</filterPif>
+			<reporterFraction>NaN</reporterFraction>
+			<reporterBasePeakRatio>NaN</reporterBasePeakRatio>
+			<timsHalfWidth>0</timsHalfWidth>
+			<timsStep>0</timsStep>
+			<timsResolution>0</timsResolution>
+			<timsMinMsmsIntensity>0</timsMinMsmsIntensity>
+			<timsRemovePrecursor>True</timsRemovePrecursor>
+			<timsIsobaricLabels>False</timsIsobaricLabels>
+			<timsCollapseMsms>True</timsCollapseMsms>
+			<crosslinkSearch>False</crosslinkSearch>
+			<crossLinker/>
+			<minMatchXl>0</minMatchXl>
+			<minPairedPepLenXl>6</minPairedPepLenXl>
+			<crosslinkOnlyIntraProtein>False</crosslinkOnlyIntraProtein>
+			<crosslinkMaxMonoUnsaturated>0</crosslinkMaxMonoUnsaturated>
+			<crosslinkMaxMonoSaturated>0</crosslinkMaxMonoSaturated>
+			<crosslinkMaxDiUnsaturated>0</crosslinkMaxDiUnsaturated>
+			<crosslinkMaxDiSaturated>0</crosslinkMaxDiSaturated>
+			<crosslinkModifications>
+         </crosslinkModifications>
+			<crosslinkFastaFiles>
+         </crosslinkFastaFiles>
+			<crosslinkSites>
+         </crosslinkSites>
+			<crosslinkNetworkFiles>
+         </crosslinkNetworkFiles>
+			<crosslinkMode/>
+			<peakRefinement>False</peakRefinement>
+			<isobaricSumOverWindow>True</isobaricSumOverWindow>
+			<isobaricWeightExponent>0.75</isobaricWeightExponent>
+			<diaLibraryType>0</diaLibraryType>
+			<diaLibraryPath/>
+			<diaPeptidePaths>
+         </diaPeptidePaths>
+			<diaEvidencePaths>
+         </diaEvidencePaths>
+			<diaMsmsPaths>
+         </diaMsmsPaths>
+			<diaInitialPrecMassTolPpm>20</diaInitialPrecMassTolPpm>
+			<diaInitialFragMassTolPpm>20</diaInitialFragMassTolPpm>
+			<diaCorrThresholdFeatureClustering>0.85</diaCorrThresholdFeatureClustering>
+			<diaPrecTolPpmFeatureClustering>2</diaPrecTolPpmFeatureClustering>
+			<diaFragTolPpmFeatureClustering>2</diaFragTolPpmFeatureClustering>
+			<diaScoreN>7</diaScoreN>
+			<diaMinScore>2.99</diaMinScore>
+			<diaPrecursorQuant>False</diaPrecursorQuant>
+			<diaDiaTopNFragmentsForQuant>3</diaDiaTopNFragmentsForQuant>
+		</parameterGroup>
+	</parameterGroups>
+	<msmsParamsArray>
+		<msmsParams>
+			<Name>FTMS</Name>
+			<MatchTolerance>20</MatchTolerance>
+			<MatchToleranceInPpm>True</MatchToleranceInPpm>
+			<DeisotopeTolerance>7</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>10</DeNovoTolerance>
+			<DeNovoToleranceInPpm>True</DeNovoToleranceInPpm>
+			<Deisotope>True</Deisotope>
+			<Topx>12</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+		<msmsParams>
+			<Name>ITMS</Name>
+			<MatchTolerance>0.5</MatchTolerance>
+			<MatchToleranceInPpm>False</MatchToleranceInPpm>
+			<DeisotopeTolerance>0.15</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>0.25</DeNovoTolerance>
+			<DeNovoToleranceInPpm>False</DeNovoToleranceInPpm>
+			<Deisotope>False</Deisotope>
+			<Topx>8</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+		<msmsParams>
+			<Name>TOF</Name>
+			<MatchTolerance>40</MatchTolerance>
+			<MatchToleranceInPpm>True</MatchToleranceInPpm>
+			<DeisotopeTolerance>0.01</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>0.02</DeNovoTolerance>
+			<DeNovoToleranceInPpm>False</DeNovoToleranceInPpm>
+			<Deisotope>True</Deisotope>
+			<Topx>10</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+		<msmsParams>
+			<Name>Unknown</Name>
+			<MatchTolerance>20</MatchTolerance>
+			<MatchToleranceInPpm>True</MatchToleranceInPpm>
+			<DeisotopeTolerance>7</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>10</DeNovoTolerance>
+			<DeNovoToleranceInPpm>True</DeNovoToleranceInPpm>
+			<Deisotope>True</Deisotope>
+			<Topx>12</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+	</msmsParamsArray>
+	<fragmentationParamsArray>
+		<fragmentationParams>
+			<Name>CID</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>HCD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>ETD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>PQD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>ETHCD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>ETCID</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>UVPD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>Unknown</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+	</fragmentationParamsArray>
+</MaxQuantParams>
+
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/04/config.yml
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/04/config.yml	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,26 @@
+
+            fastaFiles: [/home/galaxy/galaxy/database/files/000/dataset_4.dat]
+            parseRules:
+              identifierParseRule: '>([^\s]*)'
+              descriptionParseRule: '>(.*)'
+            minUniquePeptides: 0
+            minPepLen: 7
+            maxPeptideMass: 4600
+            calcPeakProperties: False
+            writeMzTab: False
+            separateLfq: False
+            lfqStabilizeLargeRatios: True
+            lfqRequireMsms: True
+            advancedSiteIntensities: True
+            matchBetweenRuns: False
+            paramGroups:
+              - files: ['BSA_min_23.mzXML', 'BSA_min_22.mzxml']
+                maxMissedCleavages: 2
+                fixedModifications: [Carbamidomethyl (C)]
+                variableModifications: [Oxidation (M)]
+                enzymes: [Trypsin/P]
+                labelMods:
+                  - [Arg6,Lys4]
+                  - []
+                  - [Arg10,DimethLys8]
+        
\ No newline at end of file
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/04/exp_design
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/04/exp_design	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,3 @@
+Name	Fraction	Experiment	PTM
+BSA_min_22	1	e1
+BSA_min_23	2	e2
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/04/mqpar.xml
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/04/mqpar.xml	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,458 @@
+<?xml version="1.0" ?>
+<MaxQuantParams>
+	<fastaFiles>
+		<FastaFileInfo>
+			<fastaFilePath>D:\shared\dglaetzer\maxquant_tool\test2\bsa.fasta</fastaFilePath>
+			<identifierParseRule>&gt;([^\s]*)</identifierParseRule>
+			<descriptionParseRule>&gt;(.*)</descriptionParseRule>
+			<taxonomyParseRule/>
+			<variationParseRule/>
+			<modificationParseRule/>
+			<taxonomyId/>
+		</FastaFileInfo>
+	</fastaFiles>
+	<fastaFilesProteogenomics>
+   </fastaFilesProteogenomics>
+	<fastaFilesFirstSearch>
+   </fastaFilesFirstSearch>
+	<fixedSearchFolder/>
+	<andromedaCacheSize>350000</andromedaCacheSize>
+	<advancedRatios>True</advancedRatios>
+	<pvalThres>0.005</pvalThres>
+	<neucodeRatioBasedQuantification>False</neucodeRatioBasedQuantification>
+	<neucodeStabilizeLargeRatios>False</neucodeStabilizeLargeRatios>
+	<rtShift>False</rtShift>
+	<separateLfq>False</separateLfq>
+	<lfqStabilizeLargeRatios>True</lfqStabilizeLargeRatios>
+	<lfqRequireMsms>True</lfqRequireMsms>
+	<decoyMode>revert</decoyMode>
+	<boxCarMode>all</boxCarMode>
+	<includeContaminants>True</includeContaminants>
+	<maxPeptideMass>4600</maxPeptideMass>
+	<epsilonMutationScore>True</epsilonMutationScore>
+	<mutatedPeptidesSeparately>True</mutatedPeptidesSeparately>
+	<proteogenomicPeptidesSeparately>True</proteogenomicPeptidesSeparately>
+	<minDeltaScoreUnmodifiedPeptides>0</minDeltaScoreUnmodifiedPeptides>
+	<minDeltaScoreModifiedPeptides>6</minDeltaScoreModifiedPeptides>
+	<minScoreUnmodifiedPeptides>0</minScoreUnmodifiedPeptides>
+	<minScoreModifiedPeptides>40</minScoreModifiedPeptides>
+	<secondPeptide>True</secondPeptide>
+	<matchBetweenRuns>False</matchBetweenRuns>
+	<matchUnidentifiedFeatures>False</matchUnidentifiedFeatures>
+	<matchBetweenRunsFdr>False</matchBetweenRunsFdr>
+	<dependentPeptides>False</dependentPeptides>
+	<dependentPeptideFdr>0</dependentPeptideFdr>
+	<dependentPeptideMassBin>0</dependentPeptideMassBin>
+	<dependentPeptidesBetweenRuns>False</dependentPeptidesBetweenRuns>
+	<dependentPeptidesWithinExperiment>False</dependentPeptidesWithinExperiment>
+	<dependentPeptidesWithinParameterGroup>False</dependentPeptidesWithinParameterGroup>
+	<dependentPeptidesRestrictFractions>False</dependentPeptidesRestrictFractions>
+	<dependentPeptidesFractionDifference>0</dependentPeptidesFractionDifference>
+	<msmsConnection>False</msmsConnection>
+	<ibaq>False</ibaq>
+	<top3>False</top3>
+	<independentEnzymes>False</independentEnzymes>
+	<useDeltaScore>False</useDeltaScore>
+	<splitProteinGroupsByTaxonomy>False</splitProteinGroupsByTaxonomy>
+	<taxonomyLevel>Species</taxonomyLevel>
+	<avalon>False</avalon>
+	<nModColumns>3</nModColumns>
+	<ibaqLogFit>False</ibaqLogFit>
+	<razorProteinFdr>True</razorProteinFdr>
+	<deNovoSequencing>False</deNovoSequencing>
+	<deNovoVarMods>True</deNovoVarMods>
+	<massDifferenceSearch>False</massDifferenceSearch>
+	<isotopeCalc>False</isotopeCalc>
+	<writePeptidesForSpectrumFile/>
+	<intensityPredictionsFile>
+   </intensityPredictionsFile>
+	<minPepLen>7</minPepLen>
+	<psmFdrCrosslink>0.01</psmFdrCrosslink>
+	<peptideFdr>0.01</peptideFdr>
+	<proteinFdr>0.01</proteinFdr>
+	<siteFdr>0.01</siteFdr>
+	<minPeptideLengthForUnspecificSearch>8</minPeptideLengthForUnspecificSearch>
+	<maxPeptideLengthForUnspecificSearch>25</maxPeptideLengthForUnspecificSearch>
+	<useNormRatiosForOccupancy>True</useNormRatiosForOccupancy>
+	<minPeptides>1</minPeptides>
+	<minRazorPeptides>1</minRazorPeptides>
+	<minUniquePeptides>0</minUniquePeptides>
+	<useCounterparts>False</useCounterparts>
+	<advancedSiteIntensities>True</advancedSiteIntensities>
+	<customProteinQuantification>False</customProteinQuantification>
+	<customProteinQuantificationFile/>
+	<minRatioCount>2</minRatioCount>
+	<restrictProteinQuantification>True</restrictProteinQuantification>
+	<restrictMods>
+		<string>Oxidation (M)</string>
+		<string>Acetyl (Protein N-term)</string>
+	</restrictMods>
+	<matchingTimeWindow>0</matchingTimeWindow>
+	<matchingIonMobilityWindow>0</matchingIonMobilityWindow>
+	<alignmentTimeWindow>0</alignmentTimeWindow>
+	<alignmentIonMobilityWindow>0</alignmentIonMobilityWindow>
+	<numberOfCandidatesMsms>15</numberOfCandidatesMsms>
+	<compositionPrediction>0</compositionPrediction>
+	<quantMode>1</quantMode>
+	<massDifferenceMods>
+   </massDifferenceMods>
+	<mainSearchMaxCombinations>200</mainSearchMaxCombinations>
+	<writeMsScansTable>False</writeMsScansTable>
+	<writeMsmsScansTable>True</writeMsmsScansTable>
+	<writePasefMsmsScansTable>True</writePasefMsmsScansTable>
+	<writeAccumulatedPasefMsmsScansTable>True</writeAccumulatedPasefMsmsScansTable>
+	<writeMs3ScansTable>True</writeMs3ScansTable>
+	<writeAllPeptidesTable>True</writeAllPeptidesTable>
+	<writeMzRangeTable>True</writeMzRangeTable>
+	<writeMzTab>False</writeMzTab>
+	<disableMd5>False</disableMd5>
+	<cacheBinInds>True</cacheBinInds>
+	<etdIncludeB>False</etdIncludeB>
+	<ms2PrecursorShift>0</ms2PrecursorShift>
+	<complementaryIonPpm>20</complementaryIonPpm>
+	<variationParseRule/>
+	<variationMode>none</variationMode>
+	<useSeriesReporters>False</useSeriesReporters>
+	<name>session1</name>
+	<maxQuantVersion>1.6.10.43</maxQuantVersion>
+	<tempFolder/>
+	<pluginFolder/>
+	<numThreads>1</numThreads>
+	<emailAddress/>
+	<smtpHost/>
+	<emailFromAddress/>
+	<fixedCombinedFolder/>
+	<fullMinMz>-1.79589544172745E+308</fullMinMz>
+	<fullMaxMz>1.79589544172745E+308</fullMaxMz>
+	<sendEmail>False</sendEmail>
+	<ionCountIntensities>False</ionCountIntensities>
+	<verboseColumnHeaders>False</verboseColumnHeaders>
+	<calcPeakProperties>False</calcPeakProperties>
+	<showCentroidMassDifferences>False</showCentroidMassDifferences>
+	<showIsotopeMassDifferences>False</showIsotopeMassDifferences>
+	<useDotNetCore>False</useDotNetCore>
+	<filePaths>
+		<string>D:\shared\dglaetzer\maxquant_tool\test2\BSA_min_22.mzXML</string>
+		<string>D:\shared\dglaetzer\maxquant_tool\test2\BSA_min_23.mzXML</string>
+	</filePaths>
+	<experiments>
+		<string>e1</string>
+		<string>e2</string>
+	</experiments>
+	<fractions>
+		<short>1</short>
+		<short>2</short>
+	</fractions>
+	<ptms>
+		<boolean>False</boolean>
+		<boolean>False</boolean>
+	</ptms>
+	<paramGroupIndices>
+		<int>0</int>
+		<int>0</int>
+	</paramGroupIndices>
+	<referenceChannel>
+		<string/>
+		<string/>
+	</referenceChannel>
+	<intensPred>False</intensPred>
+	<intensPredModelReTrain>False</intensPredModelReTrain>
+	<parameterGroups>
+		<parameterGroup>
+			<msInstrument>0</msInstrument>
+			<maxCharge>7</maxCharge>
+			<minPeakLen>2</minPeakLen>
+			<diaMinPeakLen>2</diaMinPeakLen>
+			<useMs1Centroids>False</useMs1Centroids>
+			<useMs2Centroids>False</useMs2Centroids>
+			<cutPeaks>True</cutPeaks>
+			<gapScans>1</gapScans>
+			<minTime>NaN</minTime>
+			<maxTime>NaN</maxTime>
+			<matchType>MatchFromAndTo</matchType>
+			<intensityDetermination>0</intensityDetermination>
+			<centroidMatchTol>8</centroidMatchTol>
+			<centroidMatchTolInPpm>True</centroidMatchTolInPpm>
+			<centroidHalfWidth>35</centroidHalfWidth>
+			<centroidHalfWidthInPpm>True</centroidHalfWidthInPpm>
+			<valleyFactor>1.4</valleyFactor>
+			<isotopeValleyFactor>1.2</isotopeValleyFactor>
+			<advancedPeakSplitting>False</advancedPeakSplitting>
+			<intensityThreshold>0</intensityThreshold>
+			<labelMods>
+				<string>Arg6;Lys4</string>
+				<string>Arg10;DimethLys8</string>
+			</labelMods>
+			<lcmsRunType>Standard</lcmsRunType>
+			<reQuantify>False</reQuantify>
+			<lfqMode>0</lfqMode>
+			<lfqSkipNorm>False</lfqSkipNorm>
+			<lfqMinEdgesPerNode>3</lfqMinEdgesPerNode>
+			<lfqAvEdgesPerNode>6</lfqAvEdgesPerNode>
+			<lfqMaxFeatures>100000</lfqMaxFeatures>
+			<neucodeMaxPpm>0</neucodeMaxPpm>
+			<neucodeResolution>0</neucodeResolution>
+			<neucodeResolutionInMda>False</neucodeResolutionInMda>
+			<neucodeInSilicoLowRes>False</neucodeInSilicoLowRes>
+			<fastLfq>True</fastLfq>
+			<lfqRestrictFeatures>False</lfqRestrictFeatures>
+			<lfqMinRatioCount>2</lfqMinRatioCount>
+			<maxLabeledAa>2</maxLabeledAa>
+			<maxNmods>5</maxNmods>
+			<maxMissedCleavages>2</maxMissedCleavages>
+			<multiplicity>2</multiplicity>
+			<enzymeMode>0</enzymeMode>
+			<complementaryReporterType>0</complementaryReporterType>
+			<reporterNormalization>0</reporterNormalization>
+			<neucodeIntensityMode>0</neucodeIntensityMode>
+			<fixedModifications>
+				<string>Carbamidomethyl (C)</string>
+			</fixedModifications>
+			<enzymes>
+				<string>Trypsin/P</string>
+			</enzymes>
+			<enzymesFirstSearch>
+         </enzymesFirstSearch>
+			<enzymeModeFirstSearch>0</enzymeModeFirstSearch>
+			<useEnzymeFirstSearch>False</useEnzymeFirstSearch>
+			<useVariableModificationsFirstSearch>False</useVariableModificationsFirstSearch>
+			<variableModifications>
+				<string>Oxidation (M)</string>
+			</variableModifications>
+			<useMultiModification>False</useMultiModification>
+			<multiModifications>
+         </multiModifications>
+			<isobaricLabels>
+         </isobaricLabels>
+			<neucodeLabels>
+         </neucodeLabels>
+			<variableModificationsFirstSearch>
+         </variableModificationsFirstSearch>
+			<hasAdditionalVariableModifications>False</hasAdditionalVariableModifications>
+			<additionalVariableModifications>
+         </additionalVariableModifications>
+			<additionalVariableModificationProteins>
+         </additionalVariableModificationProteins>
+			<doMassFiltering>True</doMassFiltering>
+			<firstSearchTol>20</firstSearchTol>
+			<mainSearchTol>4.5</mainSearchTol>
+			<searchTolInPpm>True</searchTolInPpm>
+			<isotopeMatchTol>2</isotopeMatchTol>
+			<isotopeMatchTolInPpm>True</isotopeMatchTolInPpm>
+			<isotopeTimeCorrelation>0.6</isotopeTimeCorrelation>
+			<theorIsotopeCorrelation>0.6</theorIsotopeCorrelation>
+			<checkMassDeficit>True</checkMassDeficit>
+			<recalibrationInPpm>True</recalibrationInPpm>
+			<intensityDependentCalibration>False</intensityDependentCalibration>
+			<minScoreForCalibration>70</minScoreForCalibration>
+			<matchLibraryFile>False</matchLibraryFile>
+			<libraryFile/>
+			<matchLibraryMassTolPpm>0</matchLibraryMassTolPpm>
+			<matchLibraryTimeTolMin>0</matchLibraryTimeTolMin>
+			<matchLabelTimeTolMin>0</matchLabelTimeTolMin>
+			<reporterMassTolerance>NaN</reporterMassTolerance>
+			<reporterPif>NaN</reporterPif>
+			<filterPif>False</filterPif>
+			<reporterFraction>NaN</reporterFraction>
+			<reporterBasePeakRatio>NaN</reporterBasePeakRatio>
+			<timsHalfWidth>0</timsHalfWidth>
+			<timsStep>0</timsStep>
+			<timsResolution>0</timsResolution>
+			<timsMinMsmsIntensity>0</timsMinMsmsIntensity>
+			<timsRemovePrecursor>True</timsRemovePrecursor>
+			<timsIsobaricLabels>False</timsIsobaricLabels>
+			<timsCollapseMsms>True</timsCollapseMsms>
+			<crosslinkSearch>False</crosslinkSearch>
+			<crossLinker/>
+			<minMatchXl>0</minMatchXl>
+			<minPairedPepLenXl>6</minPairedPepLenXl>
+			<crosslinkOnlyIntraProtein>False</crosslinkOnlyIntraProtein>
+			<crosslinkMaxMonoUnsaturated>0</crosslinkMaxMonoUnsaturated>
+			<crosslinkMaxMonoSaturated>0</crosslinkMaxMonoSaturated>
+			<crosslinkMaxDiUnsaturated>0</crosslinkMaxDiUnsaturated>
+			<crosslinkMaxDiSaturated>0</crosslinkMaxDiSaturated>
+			<crosslinkModifications>
+         </crosslinkModifications>
+			<crosslinkFastaFiles>
+         </crosslinkFastaFiles>
+			<crosslinkSites>
+         </crosslinkSites>
+			<crosslinkNetworkFiles>
+         </crosslinkNetworkFiles>
+			<crosslinkMode/>
+			<peakRefinement>False</peakRefinement>
+			<isobaricSumOverWindow>True</isobaricSumOverWindow>
+			<isobaricWeightExponent>0.75</isobaricWeightExponent>
+			<diaLibraryType>0</diaLibraryType>
+			<diaLibraryPath/>
+			<diaPeptidePaths>
+         </diaPeptidePaths>
+			<diaEvidencePaths>
+         </diaEvidencePaths>
+			<diaMsmsPaths>
+         </diaMsmsPaths>
+			<diaInitialPrecMassTolPpm>20</diaInitialPrecMassTolPpm>
+			<diaInitialFragMassTolPpm>20</diaInitialFragMassTolPpm>
+			<diaCorrThresholdFeatureClustering>0.85</diaCorrThresholdFeatureClustering>
+			<diaPrecTolPpmFeatureClustering>2</diaPrecTolPpmFeatureClustering>
+			<diaFragTolPpmFeatureClustering>2</diaFragTolPpmFeatureClustering>
+			<diaScoreN>7</diaScoreN>
+			<diaMinScore>2.99</diaMinScore>
+			<diaPrecursorQuant>False</diaPrecursorQuant>
+			<diaDiaTopNFragmentsForQuant>3</diaDiaTopNFragmentsForQuant>
+		</parameterGroup>
+	</parameterGroups>
+	<msmsParamsArray>
+		<msmsParams>
+			<Name>FTMS</Name>
+			<MatchTolerance>20</MatchTolerance>
+			<MatchToleranceInPpm>True</MatchToleranceInPpm>
+			<DeisotopeTolerance>7</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>10</DeNovoTolerance>
+			<DeNovoToleranceInPpm>True</DeNovoToleranceInPpm>
+			<Deisotope>True</Deisotope>
+			<Topx>12</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+		<msmsParams>
+			<Name>ITMS</Name>
+			<MatchTolerance>0.5</MatchTolerance>
+			<MatchToleranceInPpm>False</MatchToleranceInPpm>
+			<DeisotopeTolerance>0.15</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>0.25</DeNovoTolerance>
+			<DeNovoToleranceInPpm>False</DeNovoToleranceInPpm>
+			<Deisotope>False</Deisotope>
+			<Topx>8</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+		<msmsParams>
+			<Name>TOF</Name>
+			<MatchTolerance>40</MatchTolerance>
+			<MatchToleranceInPpm>True</MatchToleranceInPpm>
+			<DeisotopeTolerance>0.01</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>0.02</DeNovoTolerance>
+			<DeNovoToleranceInPpm>False</DeNovoToleranceInPpm>
+			<Deisotope>True</Deisotope>
+			<Topx>10</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+		<msmsParams>
+			<Name>Unknown</Name>
+			<MatchTolerance>20</MatchTolerance>
+			<MatchToleranceInPpm>True</MatchToleranceInPpm>
+			<DeisotopeTolerance>7</DeisotopeTolerance>
+			<DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm>
+			<DeNovoTolerance>10</DeNovoTolerance>
+			<DeNovoToleranceInPpm>True</DeNovoToleranceInPpm>
+			<Deisotope>True</Deisotope>
+			<Topx>12</Topx>
+			<TopxInterval>100</TopxInterval>
+			<HigherCharges>True</HigherCharges>
+			<IncludeWater>True</IncludeWater>
+			<IncludeAmmonia>True</IncludeAmmonia>
+			<DependentLosses>True</DependentLosses>
+			<Recalibration>False</Recalibration>
+		</msmsParams>
+	</msmsParamsArray>
+	<fragmentationParamsArray>
+		<fragmentationParams>
+			<Name>CID</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>HCD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>ETD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>PQD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>ETHCD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>ETCID</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>UVPD</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+		<fragmentationParams>
+			<Name>Unknown</Name>
+			<Connected>False</Connected>
+			<ConnectedScore0>1</ConnectedScore0>
+			<ConnectedScore1>1</ConnectedScore1>
+			<ConnectedScore2>1</ConnectedScore2>
+			<InternalFragments>False</InternalFragments>
+			<InternalFragmentWeight>1</InternalFragmentWeight>
+			<InternalFragmentAas>KRH</InternalFragmentAas>
+		</fragmentationParams>
+	</fragmentationParamsArray>
+</MaxQuantParams>
+
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/BSA_min_21.mzXML
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/BSA_min_21.mzXML	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,2200 @@
+<?xml version="1.0" encoding="ISO-8859-1"?>
+<mzXML xmlns="http://sashimi.sourceforge.net/schema_revision/mzXML_3.2"
+       xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+       xsi:schemaLocation="http://sashimi.sourceforge.net/schema_revision/mzXML_3.2 http://sashimi.sourceforge.net/schema_revision/mzXML_3.2/mzXML_idx_3.2.xsd">
+  <msRun scanCount="100" startTime="PT0.2912S" endTime="PT35.5222S">
+    <parentFile fileName="file:///D:\shared\dglaetzer\maxquant_tool\test2\two/BSA_min_21.raw"
+                fileType="RAWData"
+                fileSha1="52125693477eda68b26bcebf7d345c550c6d3ef0"/>
+    <msInstrument msInstrumentID="1">
+      <msManufacturer category="msManufacturer" value="Thermo Scientific"/>
+      <msModel category="msModel" value="LTQ Orbitrap XL"/>
+      <msIonisation category="msIonisation" value="nanoelectrospray"/>
+      <msMassAnalyzer category="msMassAnalyzer" value="orbitrap"/>
+      <msDetector category="msDetector" value="inductive detector"/>
+      <software type="acquisition" name="Xcalibur" version="2.5.5 SP2"/>
+    </msInstrument>
+    <msInstrument msInstrumentID="2">
+      <msManufacturer category="msManufacturer" value="Thermo Scientific"/>
+      <msModel category="msModel" value="LTQ Orbitrap XL"/>
+      <msIonisation category="msIonisation" value="nanoelectrospray"/>
+      <msMassAnalyzer category="msMassAnalyzer" value="radial ejection linear ion trap"/>
+      <msDetector category="msDetector" value="electron multiplier"/>
+      <software type="acquisition" name="Xcalibur" version="2.5.5 SP2"/>
+    </msInstrument>
+    <dataProcessing centroided="1">
+      <software type="conversion" name="ProteoWizard software" version="3.0.9706"/>
+      <processingOperation name="Conversion to mzML"/>
+      <software type="processing" name="ProteoWizard software" version="3.0.9706"/>
+      <comment>Thermo/Xcalibur peak picking</comment>
+    </dataProcessing>
+    <scan num="1"
+          scanType="Full"
+          centroided="1"
+          msLevel="1"
+          peaksCount="704"
+          polarity="+"
+          retentionTime="PT0.2912S"
+          lowMz="370.207275390625"
+          highMz="1609.848266601563"
+          basePeakMz="372.186614990234"
+          basePeakIntensity="1.998346e06"
+          totIonCurrent="2.1077186e07"
+          msInstrumentID="1">
+      <peaks compressionType="zlib"
+             compressedLen="5188"
+             precision="32"
+             byteOrder="network"
+             contentType="m/z-int">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</peaks>
+    </scan>
+    <scan num="2"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="420"
+          polarity="+"
+          retentionTime="PT0.7326S"
+          collisionEnergy="35.0"
+          lowMz="203.606658935547"
+          highMz="1341.654663085938"
+          basePeakMz="1168.501953125"
+          basePeakIntensity="12357.986328125"
+          totIonCurrent="47150.25"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="1" precursorIntensity="1.544599e06" precursorCharge="2" activationMethod="CID" windowWideness="2.0">722.8173828125</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="3113"
+             precision="32"
+             byteOrder="network"
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+          msLevel="2"
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+          polarity="+"
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+          collisionEnergy="35.0"
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+          totIonCurrent="18183.33203125"
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+      <peaks compressionType="zlib"
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contentType="m/z-int">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</peaks>
+    </scan>
+    <scan num="8"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="343"
+          polarity="+"
+          retentionTime="PT2.8092S"
+          collisionEnergy="35.0"
+          lowMz="134.873550415039"
+          highMz="862.042297363281"
+          basePeakMz="683.274108886719"
+          basePeakIntensity="8882.4853515625"
+          totIonCurrent="65408.6640625"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="7" precursorIntensity="7.337193125e05" precursorCharge="2" activationMethod="CID" windowWideness="2.0">472.235137939453</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="2567"
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+    </scan>
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+          msLevel="1"
+          peaksCount="797"
+          polarity="+"
+          retentionTime="PT4.3662S"
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+          totIonCurrent="1.8851166e07"
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+    </scan>
+    <scan num="14"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="4"
+          polarity="+"
+          retentionTime="PT4.8388S"
+          collisionEnergy="35.0"
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+      <peaks compressionType="zlib"
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+             precision="32"
+             byteOrder="network"
+             contentType="m/z-int">eJxzadl60yH1ZoPLwvOpjlPMtFz26HM43Mr77/LxlLTDnNC7AP5cD4k=</peaks>
+    </scan>
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+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="286"
+          polarity="+"
+          retentionTime="PT5.1981S"
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+          highMz="964.289367675781"
+          basePeakMz="472.386047363281"
+          basePeakIntensity="2586.043212890625"
+          totIonCurrent="7892.62255859375"
+          msInstrumentID="2">
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+      <peaks compressionType="zlib"
+             compressedLen="2145"
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+             contentType="m/z-int">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</peaks>
+    </scan>
+    <scan num="19"
+          scanType="Full"
+          centroided="1"
+          msLevel="1"
+          peaksCount="816"
+          polarity="+"
+          retentionTime="PT6.4607S"
+          lowMz="370.207946777344"
+          highMz="1687.041748046875"
+          basePeakMz="372.186828613281"
+          basePeakIntensity="2.026845875e06"
+          totIonCurrent="1.6279661e07"
+          msInstrumentID="1">
+      <peaks compressionType="zlib"
+             compressedLen="5974"
+             precision="32"
+             byteOrder="network"
+             contentType="m/z-int">eJwN13dYD2oUB3BEQkU70lIRodAiUp3zfX9FiEqJhpHsCtmjbLkaGmhJw95cVLpXk4ZUUiolblZmwwq5/fV5nvO8f5znOec95zmUMSRJ7B81iTLIW5hOuUcZm2fD8PRRyggJlhhNW0UZcQWw+RRJGfFv4dFmQBmJxhL9cRaUcdIU00yDKOPMZuTe+EkZl/KwceMIylSKh8LS+ZSpbIXdqV+6/SD6v5KhTJUOxIxuoEzVVbioNqPbKrF2lzdlqr11+LbiE2UOthXDi85Q5hBbGC+a1e1VVBwLo0wNXRws/pcyNbfjb5Md3TbiXEI+ZWo/FxO0LCkzaCQW+J2izOA8WPS8S5khy3Cq0ZQyd2XA8nIUZR5zsz9+M54y4yqxcMtFykw4B6NJqykz2R5eMx5T5ocWYX7wAmX+1BGGBgGUpe4jqtc5U9aQ2RKXJBfK0niKWSfTKUtrL0JrLSnLY68IL7hJWduXIPafX5R1rBl1Ki8pK2k4onbdpDuaD7Bv0ke6E5GG5WmL6M6RsfbqFU10J8EQK5aa0p2aJ4g8f52yFeNE6MdvlK26BQa+gZQdrinkTw6k7CNZWPHsKmUntkLhynr6R9MMR96P6PankDu+hf45cR+ekd/on4axmF37lv5pc4Zerxt0V+0znjT0pLvmruh/sIzueuyAQrY83d1+WvQ//B/djf0Jj89KdDcuRFglalGOVoyouzuIcnTVcW9xOuXsSHKQ/3OEck7I4tyDZ5STchyHq7dSzmkDGG6/TTn1irDNcaacP/0kZmqalKu5CwGaSpSrEyZRuX+Ychd6QrH4JeVuHQ+V1DTK3aEoSXabT7k7ZUXv6xcoN34/9DRcKDfxMmzu/6Tck3I477yKcrt24MyIDZSnoYd4tWDK25YhTEs/UN7262KirRzlpa2SuN7+j/J++aNLZQDl69eIQ02ylB/8FInFxpR/+CbSG+ZSfliNZF9tEuXHVcNIRo3yT+zGWKmfVCCvAbsZ9lQw0FFIv/hGBYM9sSSuBxUM2Y/gvSVUoDEWCurPqSDsDLILblNB3FvM6DOCChI+YOPZMCocGgajW8OoUDMU5kf3UqH2ABTL/6DCY84w+3c33dv2AJN0OujehaWYrzuL7j1cgeGopvsa77C79h3dT5TB5XJ3uv9zK5btXkFFGhZIuPSOijQ/SNT69aairWpi6POlVJSwBIqtgoqS/HChQZmKOq1gqdlBxYMt4dt+hIo1lZFxbjEVa7fY7/hlQ8VbtYVKd32KdzXBu/ctKj6+CAanuk12kpg3nqOSga8gE6xGJYP1cDbqG5UMScd6s1wq0dyP33CkEu3emLDnKZXorIbGvYVUYv8SegG7qWRLIHY/nU0lu3wxK/0AlRwIhpFRF5UkNsJusA2V1BpjanM8lfaTh3t6BZVqbMP0hlVU6pkCM4kMlW4zRLz+Byrd7upgqJVEpXEjxLjXKlT6u1DibOtAD1TfwejDTXqwrhGm9X/owbZ7ErfKCHqw/RYiLH7Tg4RdEqmGt/Tg9wRcexZLZUM/oyTRkcrGyULO7jKVHfmM/nvn08Nht2A4cgw9XCyNSaHu9DB6NSBzkh4m75bcLCumcvUIqNfPonJNC1RHqFG5drsw2rCaynVahG9nCZXHj0OYkxSVJ6yDeGZF5U8TYfbrBFVodcHCKJQqdF/bx7+qoYpFRlBdrkQVyZMw6fYyqkhxkkzLSaWKM15oadpOFV9PY4rcIqocmonL5reoUnuK5Ou471SZ2AebDTSp8kSqSDloQpXF+hhutp0qG37CyPkOPdIKxV+um+mRjiy8vRvo0cI1MI9ZQ48SzIXndXeqmtYF85BrVBVbh++zmKqOB2HT2Y1U1bYbgW/D6bGnBaCzjB63+SJN6zBVa7+WyGzspOpFT5Bsu4KqE5+KmK9VVJ08HMFXVak61QiTLo2jGsUGmC83pBrVZahw0qAazRnYEldGNXHrcI8XUU3iPFjWzqeaT9kIaZelJ9qG2C/9iJ7ovZKUz/GiJz5ycBgxn56kuYp1E12pVtdGUp67g2oXN4tNk9OoNqkOTl9yqfbkVbFhtjzVpungTfpoqtOoxaF1ilS38Dk2rwukupTh2Pv+KtV985I4/xVK9ZqfIMxB9RvrcLz/WKo/ViOONj+i+vgIHD5fQfVfq+GxOIKeqobh7qn79DR2GMYMnkUNi7WhI99GDdsW4ULFJmpI7g8e/S811KuK8B/vqFFrCKbljqLGhC6IiVup8eQrrPT9hxqfXYCtlCc906zF1sYX9EwrGSuXNtMzXVtJz0dvqEnPRpL4Zzw1Jd3GLk8Nakq9KLzWzqem+lHYd+kzNTV0YpTVbGp6Nk3cH2tNTc8HYK/6QHquZYuC0R/ouXaU6H3oCj33cseV0JH0/NhXaFfNoxca0zCxcBm9GDsQl4160QtvCUa2dcd90hB+Q4denG/FGfVEelEojdA6bXpRpAXJsMn0n1ojBi9l+s/zCf453u2JBiTut6DmoZuxbosiNa8LQ+yEBdSc7C/ulaZQc2OLiJn3h5qbjgotqZ70UttUyD7YSC9TBkE37BW9fGGO077v6ZXOfix8coBeLSwSIaqD6FWKBnzm/EOv53Xne0CK3gy9gi4Nd3qj64OWRz70xiNBYlBxhd7EvRRzM7XprbaX/bqrdfTWKxSJkkJ6e6JEsr74IrX07ovuFUMtOgao9aymFl0PLH5kQC1xMrCo1aeWUgeQVg69G/AO7/vU07uL7vaPvoLe/U5F0tdr9F5Lx8GoXxq915FG6gAjeq+nBOfu//F+zL+SvF1B9N7Lxf70ZXN6n7RXsnPOEnp/cipsDf+l95eMhVKuCb1vvCjip56iD9pR2GKmQR8WXUDxRU/6cLIXfJfvoo9eT6Ew8TR98k4XSv8l06fFjjjd3EWfTrQhxKaTPjVOQcKwy/SpaQgCzYPps6Y7pnROp88nJ2PjVGNqdVCHtr4etZZ09/VNa2qtd8ScRcHUpl+DnZdGUdvo/XC5ZkFteyuxQ7+D2hJ9MHHlKWpLdxMHNedTW/N02BWso7aXYUJLPpfatVLwwMyM2vWykJPuTu0G++Cz2pHaR1rCuGMotXuVwaGlO75TVbL8xmJqvxCPpytLqb0h135GiDS1/wkXUsMuUIfmD0m+hi916FoI7fRY6hh2Cauly6nDy0KUHhtDHTu2CMO77dSRfA2LY0zpi5YfrD/9oC+6v1B8V52+mB+CTdoG+pJ6Gl51/ehLkxp87/+gr4nBOOifTV9fjkLj5hz6pvMaRqtv0bdhfXF3dCd9M7DBUZvr9K1sOKbpR9C3H/K4dyGHvk87jllXN9D3mCb4/QZ9T74AJ2kL6tSywPHAVdTpFYylrzLol34o7Edsol/poTAzPEO/B79HxIAT9Ft3DHyzqug3X0bMrEH027MMmS2d1KW9QaJacp66HG5jgu0N6pouixt3tanL+6JwL+tFXYcIFT0eUdeJ03gA0B9td0ydo0Z/SvdhZ2QI9/hZgKWHBPf4lQivB5bc0+Qjdjvmc0//eRLZy1O5Z9hX4aR7nXuGbxRRTmbc89JrFDb94p6XU2Chu5t7VgwUH7ce5J6t40SQmwf3UpgCfI3nXhH5SLUr4l6nRmDn9yvcq7VUaDjksdTAFyLydRlLKSpiVuscljJRxJ76TyzlbyX6FT5jqbArorqnFUtdui96rdFgqYeb4e5H3HuWjIheLsu9/fXFkEOLuHfkaIT9q8d9FLMkfTf6cJ/xLyU9ZFO4j3N/HOpxjfss14PPOWXuE/kMU9S3c582bTjIFbC0yTb8NdmBpZ0y0PXjBkuvt0XIcReW3mWFUyfesPTV0fb07TVLP7wJ3/DudxWOkutDz7D05+e4vmcyS7duFOHG1iz9uxlOGZe5r8JebKnaz31n3xEJu5dxX78grFxbyH0jW+CQf477VmYIpboL3PelCuYZ/WEZhVlYfEOfZRR/wn6mFcsoRWFN2yuWMVmOn+tfssx4DbHqryaWsQuD5RcnlpnjhKj6CJZpjcTiLxtYpi1WDOry4n6KszHRX7nbVJgvOMX9jpyBneZr7lfRAtdZz7hf2wL8yt7E/QcNh/GIsd0uwqjRt7m/4nSEdj7k/oYaiF2ozv1NU4S0HnN/l8vIvuPN/fdMwwybbqMPwnNYPPevuI9DfUq5/xtlUP8iHhBYjbgvC3lAxEwhm7WIB5SnYOnXsyxrNgATxq9i2TmZMNt6m2UjQ7CiYyHLyRvgntEEllO4B/PMLJZTisDSHa0sp3IeZmMjWE5vBQKe6bFc4FnsKd/PclfvwqXoGctVaCNrUBDLT52FfcOcWN5ridjvWMfyAVYofl7E8uGnhbXjW5aPmgWMXsfySWdQ/3c2y1+uRfyUnjxQ8Q92/F3ICoqtWL0mkhWcKnH8ghMrOMdgjAOzgqu7WFsTzApBQfj0911WiDmA0KZerFD4Cl0xpqzoVi6azVpZMZCR8EeTFSPtEZlUxIrH1FH0x4QVK+9gn9kvVmzLRfregazkfBUp2wtYaXmWUNpeyUo7pyBppjErRdTBduZcVoryQfQoR1aO+opD0y1ZOfWYg/71Rax81gf/phxg5dudDoOKF7Jy2Wz76+4xrFz+E68HhLLyf2ckTb/fsnLrABzMMmflH70kqtcEq8hvEbJLdVlFyQ4zz9qwip4iZmwPZZXgcYixXMsqEWX4VmPEKpmZaD+YwiqVWkgdtphVnnyDy6bxrNLxAZk/K1ilMwnnvbVYVTYaK6IXsuqcXNS9nsaqa9MQJxfJqhG/xYBldqyach7RJTNZ9dEQLEyyZrWgQ/BotmF1+TLhqlzK6vqWyB1+k9XN6sWk1oGs7tomBi2ZyupBXWL6jZ+sfugunOOVWD1yFqIuTGL1WHVUqirzYIVnMFc7zYMDBE6Pk+XBuyxxzXM2D47wwq5fN3hI1AU8PveGh1yvwsWXq3jIYzOcOMg85FcStuedYQ1nKcQn7GBNa3/YldWzpnM9Fi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+    </scan>
+    <scan num="26"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="356"
+          polarity="+"
+          retentionTime="PT9.1504S"
+          collisionEnergy="35.0"
+          lowMz="151.176940917969"
+          highMz="1024.724365234375"
+          basePeakMz="509.940246582031"
+          basePeakIntensity="744.910461425781"
+          totIonCurrent="11499.65625"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="25" precursorIntensity="49389.73046875" precursorCharge="2" activationMethod="CID" windowWideness="2.0">518.233276367188</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="2662"
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+             contentType="m/z-int">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</peaks>
+    </scan>
+    <scan num="31"
+          scanType="Full"
+          centroided="1"
+          msLevel="1"
+          peaksCount="797"
+          polarity="+"
+          retentionTime="PT10.7848S"
+          lowMz="370.207489013672"
+          highMz="1656.423583984375"
+          basePeakMz="372.18701171875"
+          basePeakIntensity="2.240021e06"
+          totIonCurrent="1.5874565e07"
+          msInstrumentID="1">
+      <peaks compressionType="zlib"
+             compressedLen="5852"
+             precision="32"
+             byteOrder="network"
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+    </scan>
+    <scan num="32"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="286"
+          polarity="+"
+          retentionTime="PT11.2737S"
+          collisionEnergy="35.0"
+          lowMz="128.96028137207"
+          highMz="841.303161621094"
+          basePeakMz="625.403686523438"
+          basePeakIntensity="4577.3876953125"
+          totIonCurrent="23438.546875"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="31" precursorIntensity="3.536914375e05" precursorCharge="2" activationMethod="CID" windowWideness="2.0">450.236724853516</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="2144"
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contentType="m/z-int">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</peaks>
+    </scan>
+    <scan num="44"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="305"
+          polarity="+"
+          retentionTime="PT15.496S"
+          collisionEnergy="35.0"
+          lowMz="203.882171630859"
+          highMz="1353.317749023438"
+          basePeakMz="584.528381347656"
+          basePeakIntensity="1815.54736328125"
+          totIonCurrent="11207.7978515625"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="43" precursorIntensity="1.0652384375e05" precursorCharge="2" activationMethod="CID" windowWideness="2.0">722.326232910156</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="2277"
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+             contentType="m/z-int">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</peaks>
+    </scan>
+    <scan num="54"
+          scanType="Full"
+          centroided="1"
+          msLevel="1"
+          peaksCount="819"
+          polarity="+"
+          retentionTime="PT18.9114S"
+          lowMz="370.207641601563"
+          highMz="1637.1103515625"
+          basePeakMz="518.232238769531"
+          basePeakIntensity="4.4971275e06"
+          totIonCurrent="2.4068012e07"
+          msInstrumentID="1">
+      <peaks compressionType="zlib"
+             compressedLen="5981"
+             precision="32"
+             byteOrder="network"
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+    </scan>
+    <scan num="56"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="104"
+          polarity="+"
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contentType="m/z-int">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</peaks>
+    </scan>
+    <scan num="61"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="222"
+          polarity="+"
+          retentionTime="PT21.5362S"
+          collisionEnergy="35.0"
+          lowMz="156.27033996582"
+          highMz="968.6904296875"
+          basePeakMz="532.443725585938"
+          basePeakIntensity="1388.849731445313"
+          totIonCurrent="5272.28955078125"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="60" precursorIntensity="39646.61328125" precursorCharge="2" activationMethod="CID" windowWideness="2.0">550.257873535156</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="1682"
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+             contentType="m/z-int">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</peaks>
+    </scan>
+    <scan num="66"
+          scanType="Full"
+          centroided="1"
+          msLevel="1"
+          peaksCount="834"
+          polarity="+"
+          retentionTime="PT23.1567S"
+          lowMz="370.203247070313"
+          highMz="1636.09326171875"
+          basePeakMz="518.232116699219"
+          basePeakIntensity="2.55816375e06"
+          totIonCurrent="1.9356294e07"
+          msInstrumentID="1">
+      <peaks compressionType="zlib"
+             compressedLen="6118"
+             precision="32"
+             byteOrder="network"
+             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</peaks>
+    </scan>
+    <scan num="67"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="222"
+          polarity="+"
+          retentionTime="PT23.6335S"
+          collisionEnergy="35.0"
+          lowMz="140.263381958008"
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+             contentType="m/z-int">eJwN0olfz3keB/BKv6j5le5D6Bi/Zly/XzpUO5X3+/t50UgbkyvG6LekotBh7SKrkPKjQimSxqAirSN3rsi1azKalG6lBuPcml9KZmrnT3g+Hk8x3a2ZZR1LxEx/H9L2W4t5fbEcWnNLRI5L4UALfbHiQjyPrJwi1ow045Yv5OLvn89kqSxGrJ1ow1ZFumJLmpYc11qIFBdDOrIsWGTmJrHTqZ1il0caJau0Ylf2E1K+V4lc/5fke7dZ5E3cTEmaEeKAfz/5XrwgDuaVso3ublEQ201KH1NxyLWMxVx/8UN8CO3LKhFHdE+yrPqQODr6KtVf/kEUJr5h97fHRZGjN8nGqEVRSjY5pkaJ41otm13/IM7K57BndoQ4b1JGF89GiktjQ7l+c4e4fDic59ZDlFtU0JT9fuKqxQpSFPSIa2N2UXyLStzcs5aSTb4TtzLSSFncKu6rL/GhZ8fEgwo1+T5yF1XOppSjqxZVBRpW2F8TDz/uIafgOvHTN26sb+ssHnu8o/agaaLuVBRvnXxUNKq6KaE8XLScfccT//NItBaM4eWX9omn47XssK5XPHMK4Uk3gkVHXilt2q0WneZvuLJuk3geP4EnTAwTv5a/5DNlp8Wb4jnMunHi3R/OElLMxPv0L1mpVyj+JztNHwJKRBcyeLNrvej60/drc5L4LfhrunN1m9DqtLFOfqnozTvMrxSLxUePMgo21oh+83HcsC1T9J8PYtitF59cSliuni0+vRrBqxbeFgNp16lpe6MYvHOXezJcoHPUjw2dNNBpSGYvdSh0LQQn71oG3awYKnZIgp5VJ+1jawwxOs23I70wJPUIn55QhCGt6RQREA39RU+4wfwD9K/6ctyQW5DxcoqY7wlZS5W0f4kpDGzucN1jLxhk6LNBXjQMHqn598slGGoZSxFZWRgaCf6vygVDu/ql4ae7MMz+hhTS0wxDRwWPdMuH4X4Fr17gCqOo6RR+aCGMDk7nGZp6GDXJaXCpGz47puWCEe6Qu23hHeWvIVcHcPbmKMgfXOOnDSWQ96TSzfpjMH66mPd2OcJkVC87udjBJPQdHTg3FSaaA3R/1TmYvGhnizVGGF47loL04mA6aSMHnRwN0+gFdM54Akx/fEIfzSph5m/GK7McYJYuUXGnF8wacynnH9EwV6ZKXpVqmMf+IpVpwmBel8plhTaw0P9Dsmy7Aot8X3q4Lg+W5rHc9uwVLBP8BWath+WpKiqvzobVEgN6tTsFVvtbuHBoPKx+Ws3jpv0Ma4slVBOogXXwMVrjJmD9QM73c/bCJsWP75oshk1DAluP18LWLJ332Q3CtmKJFBd3AbZ9YdKJtkOwc4jle7aWsNvyXPIYcx0jZq7jvZFlsDdwkS5/1gl7Lz9ha7wb9ptOcra9Hhy1YymjtwNOzvXUmH4en49Wcdh4L4yJf8H5V4ygSKiVLrS2QZGvwx56t6D4pZIr+Axcwr9nzeU+fFFrQ/lnsjCur4kGLRugLLeXKq8Mg6qohPpivoWqehVV3NPCdXYxZR8zhHtoDXVez4LHt285aXQyPM18pB3x4+G5MJpDlnXBsyiXHufIMLmG6CV1watlgxRaYg1vyx08sW4qvOfXUUb7SHjXP5eavBXwMc2URt3dBZ9FXn/+mQwfbbqw6szAV+ZWNCAzwFdb7khOqkz4PptBTZZt8Nu0n3KGTcYUtYxk8nOYMhBNDx1XQJwZJL+hesCJOMp080TAgdl0t0YPAQ/OkkzKwdeHq9nP+BQCDa+w54YQBLpGc3CdO2aMypzyttMbMxYcoIKLMQgq3cG37X/EzG0B5FtL+OZCKh3pS8Yc1V7OaE/FvGU3+N/hWzFvTzVFfNmM+VMjeVphCOaXgtl/FhbMiuW/te/BglZdNrz0Gxbe7CHHrsNYlFnNch3Cou4wcvw0Gd9FdtDh1lqEvU/hpNIBqONucMd6Oyz9Xka549Yg3GsW1TzsRnhjJb0+m45lzsPI/LUSy99kUtIeP0TjPXVfXYFozRzu/WSKmBdy9otKwMpH7tS60xmrdn/ilRsOYrW7gu2fJCFWaUWO55sRr5zBFo11iG8dTu0qByQcbZFkN37Gmn4F+4TtxT+XTqLa5a+QGFdMyopBJL7+K6e90MNG1y6qisjHxqh7HBSlh6TtAxSYKEPyi3gKTNPB5pgIdlCewBZLW/pwKhJb5yZSgdtwpPjnUsYQNdK6muhS3l+w/fh70uQtws7fI+ie77/+D5SJ3uM=</peaks>
+    </scan>
+    <scan num="72"
+          scanType="Full"
+          centroided="1"
+          msLevel="1"
+          peaksCount="870"
+          polarity="+"
+          retentionTime="PT25.2968S"
+          lowMz="370.207214355469"
+          highMz="1699.197265625"
+          basePeakMz="372.187072753906"
+          basePeakIntensity="1.913391625e06"
+          totIonCurrent="1.692341e07"
+          msInstrumentID="1">
+      <peaks compressionType="zlib"
+             compressedLen="6376"
+             precision="32"
+             byteOrder="network"
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+    </scan>
+    <scan num="73"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="315"
+          polarity="+"
+          retentionTime="PT25.7785S"
+          collisionEnergy="35.0"
+          lowMz="145.664367675781"
+          highMz="1100.97705078125"
+          basePeakMz="398.382446289063"
+          basePeakIntensity="606.109741210938"
+          totIonCurrent="6063.1611328125"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="72" precursorIntensity="23982.154296875" precursorCharge="3" activationMethod="CID" windowWideness="2.0">508.586730957031</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="2354"
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+    </scan>
+    <scan num="79"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="283"
+          polarity="+"
+          retentionTime="PT27.8447S"
+          collisionEnergy="35.0"
+          lowMz="207.041732788086"
+          highMz="1271.668334960938"
+          basePeakMz="650.537414550781"
+          basePeakIntensity="2530.789794921875"
+          totIonCurrent="8046.1083984375"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="78" precursorIntensity="75823.4140625" precursorCharge="2" activationMethod="CID" windowWideness="2.0">659.313720703125</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="2133"
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+             byteOrder="network"
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+    </scan>
+    <scan num="85"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="257"
+          polarity="+"
+          retentionTime="PT30.0265S"
+          collisionEnergy="35.0"
+          lowMz="135.817184448242"
+          highMz="863.625732421875"
+          basePeakMz="452.570770263672"
+          basePeakIntensity="812.31787109375"
+          totIonCurrent="6478.88720703125"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="84" precursorIntensity="30685.572265625" precursorCharge="2" activationMethod="CID" windowWideness="2.0">461.747985839844</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="1939"
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+    </scan>
+    <scan num="94"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="257"
+          polarity="+"
+          retentionTime="PT33.2998S"
+          collisionEnergy="35.0"
+          lowMz="197.206481933594"
+          highMz="1292.235473632813"
+          basePeakMz="580.198303222656"
+          basePeakIntensity="179.448120117188"
+          totIonCurrent="4090.942138671875"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="93" precursorIntensity="41865.82421875" precursorCharge="3" activationMethod="CID" windowWideness="2.0">589.224487304688</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="1936"
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+             contentType="m/z-int">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</peaks>
+    </scan>
+    <scan num="99"
+          scanType="Full"
+          centroided="1"
+          msLevel="1"
+          peaksCount="856"
+          polarity="+"
+          retentionTime="PT35.0348S"
+          lowMz="370.527008056641"
+          highMz="1679.797241210938"
+          basePeakMz="372.18701171875"
+          basePeakIntensity="1.273681125e06"
+          totIonCurrent="1.3984085e07"
+          msInstrumentID="1">
+      <peaks compressionType="zlib"
+             compressedLen="6254"
+             precision="32"
+             byteOrder="network"
+             contentType="m/z-int">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</peaks>
+    </scan>
+    <scan num="100"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="154"
+          polarity="+"
+          retentionTime="PT35.5222S"
+          collisionEnergy="35.0"
+          lowMz="328.457336425781"
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diff -r 175e062b6a17 -r dcd39bcc7481 test-data/BSA_min_22
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/BSA_min_22	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,2190 @@
+<?xml version="1.0" encoding="ISO-8859-1"?>
+<mzXML xmlns="http://sashimi.sourceforge.net/schema_revision/mzXML_3.2"
+       xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
+       xsi:schemaLocation="http://sashimi.sourceforge.net/schema_revision/mzXML_3.2 http://sashimi.sourceforge.net/schema_revision/mzXML_3.2/mzXML_idx_3.2.xsd">
+  <msRun scanCount="100" startTime="PT0.1508S" endTime="PT35.9553S">
+    <parentFile fileName="file:///D:\shared\dglaetzer\maxquant_tool\test2\two/BSA_min_22.raw"
+                fileType="RAWData"
+                fileSha1="670beb3b6f7b8ee6c02f3a44c53017346731d382"/>
+    <msInstrument msInstrumentID="1">
+      <msManufacturer category="msManufacturer" value="Thermo Scientific"/>
+      <msModel category="msModel" value="LTQ Orbitrap XL"/>
+      <msIonisation category="msIonisation" value="nanoelectrospray"/>
+      <msMassAnalyzer category="msMassAnalyzer" value="orbitrap"/>
+      <msDetector category="msDetector" value="inductive detector"/>
+      <software type="acquisition" name="Xcalibur" version="2.5.5 SP2"/>
+    </msInstrument>
+    <msInstrument msInstrumentID="2">
+      <msManufacturer category="msManufacturer" value="Thermo Scientific"/>
+      <msModel category="msModel" value="LTQ Orbitrap XL"/>
+      <msIonisation category="msIonisation" value="nanoelectrospray"/>
+      <msMassAnalyzer category="msMassAnalyzer" value="radial ejection linear ion trap"/>
+      <msDetector category="msDetector" value="electron multiplier"/>
+      <software type="acquisition" name="Xcalibur" version="2.5.5 SP2"/>
+    </msInstrument>
+    <dataProcessing centroided="1">
+      <software type="conversion" name="ProteoWizard software" version="3.0.9706"/>
+      <processingOperation name="Conversion to mzML"/>
+      <software type="processing" name="ProteoWizard software" version="3.0.9706"/>
+      <comment>Thermo/Xcalibur peak picking</comment>
+    </dataProcessing>
+    <scan num="1"
+          scanType="Full"
+          centroided="1"
+          msLevel="1"
+          peaksCount="796"
+          polarity="+"
+          retentionTime="PT0.1508S"
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+          basePeakIntensity="1.43900225e06"
+          totIonCurrent="2.4422036e07"
+          msInstrumentID="1">
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+             compressedLen="5854"
+             precision="32"
+             byteOrder="network"
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</peaks>
+    </scan>
+    <scan num="2"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="339"
+          polarity="+"
+          retentionTime="PT0.5956S"
+          collisionEnergy="35.0"
+          lowMz="135.458145141602"
+          highMz="1169.720825195313"
+          basePeakMz="571.622497558594"
+          basePeakIntensity="18158.22265625"
+          totIonCurrent="92126.1171875"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="1" precursorIntensity="1.43900225e06" precursorCharge="3" activationMethod="CID" windowWideness="2.0">467.559112548828</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="2532"
+             precision="32"
+             byteOrder="network"
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+    </scan>
+    <scan num="3"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="469"
+          polarity="+"
+          retentionTime="PT0.8592S"
+          collisionEnergy="35.0"
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+          highMz="1273.515625"
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+          basePeakIntensity="4510.81103515625"
+          totIonCurrent="66850.1328125"
+          msInstrumentID="2">
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+      <peaks compressionType="zlib"
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+             precision="32"
+             byteOrder="network"
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+    </scan>
+    <scan num="4"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="335"
+          polarity="+"
+          retentionTime="PT1.1381S"
+          collisionEnergy="35.0"
+          lowMz="214.229293823242"
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+          basePeakMz="796.25830078125"
+          basePeakIntensity="9608.240234375"
+          totIonCurrent="71720.3671875"
+          msInstrumentID="2">
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+      <peaks compressionType="zlib"
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contentType="m/z-int">eJwNl3dUz/8Xx0t7CO1UKkXJKBLq84n0uve+P4VvJDJCv+xNQiJEZaW9NLSTkaaitBcNTZUoK2WEhp3x66/Huefc+zznnnvvufeye2r3aZLcHXZviyR6zldl9zw9Od/V/uxejJEgZHAlu5d6BENftLN8YXc8r57D8hVTcNfe2lF245Y3sSxf5Z3govR6lq/2mNYcZCxfM5SzdXJh+VoDtHJMNctfNxa7RERZ/ulufHJ7C8uPsOfUVjuz/BFVOnjShhV47MCmuQasoF2dE/Vcxgo+l6DPjP3svuYHHBbZw+4HzaYo1wXsfnshFpmsY4Xgjb6bRliR6hm8KLqLFWnsFey8acKKNPux5OhaVuSYyN164MmKrsThKR6yoig3TKzYyoqie0ji2yNWFPsJyzS+s6In2yhy0VhWrNSHCQdEWLHGWpq2xIcVR5zlfsa8ZiUqb8jxegorUR2k3PAVrMTmOOal/2AlR6bjgTUOrMQjjUJVw1hJxAyMvLGHlUReIk3t76xUcxEZfMthpZMCuIjxA6xURwEbtItZ6ck4ayvHVFYaK0zjpday0n/ynPv5RlamHSRYefUyKzupxFX1yrKyqAp8rTVqx/2mXodfrGxQiwoyXVm5uiEmOxwa5TO8m5LKyq0zaLH/Ulbu6oIhVp9Z+YlS+t9wCyv3SKJ98fWs/KoIeo7dwcqT9nOXkn6w8oH16BETwcp/u5FSchCrUA3DYqd8VqHJsHxoBavQayOfoBRW4deALca3WUVkO02dsYlVVGVgglUbq5z0Bl1dYlnl1XuccPYxVtn9g7YpnmJVWtL4RTuXVYUfxAMumawq0ocuX7RnVVV3KPGZLKsa9KVLB8tYtboi3mQrWbX9Zdz+7yyr9jVB57/5rHoAcHVuBHugpoJHYhPYA/X3AofkZ+xBtAN1iTL2YOQ4Xu8bYg81P43aDuzhEXcMPnKRPTw+gfxvnGYPOw+g92LGajS9MX7rTlaj1W9tX7mR1RzXJJeWZFZzpgUbb5xiNVG2GBQ3l9XEOQgkZh5ltRPDsDxKjNVq78fqeZms1v0KSZkosNqoSrwa48vqVAYw4KYxq9OIw+xgL1bnscYa1SazuvBGUt5+j9VF6JBSxxJWFzmHU/I9zup+f8PLKa2s7k81Z7vKitVP9MAGg2xWf2gnCVuksnp3ezzm58TqT9Rz4fqnWX10CL4TWcQeOQP2fpVij6KtMfOnAmsIOYk+eaWsIXQB7lJTZg1XBBg8Vo01xBRhdN0j1hDnzXU6X2MNnbtwx7WTrKErCb19r7JG9cU0W16INWqacuf5EaxRa5guKrWzRu0eirAdzxr1avBtLLLGKEPBS++HrDHGjbT0R/0rvwvOv3zBGp8dR382wBoHirm29CzWpB5CmQuHWJOmNbc4TYI16fRa3350hDXpLqSJIzKsiRDzcjawphgp8vKRZE0JqwRuEj2sKdUdK0MiWVO5OZ4N/MOauhxpXFEQa9ayoE+CMtas/YqmSmaz5slHKPrOEGuOzSYT7fesuXsy5oMGa+55iTuHH7GWST4kcWCEtWx4jbt3V7OW6DmcYZAma9V2QH/fUtYa9oTyxIi1TUrEjuUca9OqxI+zL7C2mDYqs17G2pXtccRSh7VH2GHohGusfciHxlVFsQ4tK+6H0irWodsn0O49yDpi0+j23q2sI2kdJ+lRxJ5oXKU3hgnsiY6VQL47kD2Jj6awf6qsU0MN/dzCWefVVSTV4s06E/Tw1Bd51vl9PeeS/5Q91d6K913fsacRz7m1ln3smfJhvOt+hj1Ts8N29T2sSzsYY3IOsK7J8vh1nz7rejqNpptosW4bG/ShMtYd/wtDriiw55Oe4j2xXPZch7hpaY3seXweSfQtYc+ftZFkgi97oZ6Hvg0b2QtdK8F4s9nsRWIm3VrUyl48t6bMK8fYK+2pJJASY6+c9mJXiw57FdlHqqW97PUzD4xoLWI9jlr4d/Z41vNcCBsqZrM3k9Qw+cQK9maTIuYpPmJvao0wr3k/6/3fIzrv+JD1JkzFh09esj71XLxxTpH1TbEnkcgNrM9pF0Y8ecv6or7iA4tL7O26VJr4Wp29jXYnMUdZ9i7al1sVLczeVVhgYZkue1cdbp0e94i9eyiEH3u92LuhjdZ+6YfYe01NwbtFvew994srVDnJ3i/LxVazHey9yynqrp/H3ifux1xfS/b+SyeNnXGafZC5hqXLf7MP2voY/ciYfYixI7TawD6k2Vtr3OxgHx7o4+XwTNY/2qfGZT9Z/8xiwXijdazfxRzjbl1g/bcNKFKkgH10rqK5gsXs49UcvNtcyj7GHUGXyHr2MV4Sz51+yD5r+GPNBlf2OfYAHgm8wAac3NDfRIwNagEG2cmywa/ltEXuHBvSDqXQ1x/Z0Izb+M9gDxtashsDXxxnw5NOY4TEDjasW08T5cvY8Ck17oaRHBtOOIG5/xNhw7cySCbMjw13PeD6Wz+zL2r9eLm6n33R/MeteS/EvujwiKv3Y182mtO2bRnsy8lw/D6Yz75ursEXB3XYr/1nsM5ej/2KXEu69kvZyLgDeL5DkY3ED+K1ly1sJPknmc95yn6/iMGuadLsj85BLJXcxP5saMNngdXsr9ZuEt7Tzf6W36ewO3vZ30+BZLVoBwjx/IjnHAVCy19h6uofILTfDUvejoBQfCo2nB8E4Qm7SMNACIT3r+UkYu1B2K8NvZvWg7D/STLZuBKEQ5w5/3gFEE5PxgqLSyDcGkM3xy4D4V/dlHdxLowZb0fTD2+DMS5V+G/vERhTYItfE8/AmAYXvKi/CMY0BmGMzz4Y83kPjWtaASIKw1Q1VRJE5ipg9VsEkf0zyXJ5EIicECKprBgQNW7HnNMWIGr/GC+42YLo5TK8uUAIRP1/Y948fRBNf8ZlZZqCaMNPzk7gD6IDiuQJWiA6fB3frEwDMYVWjPDZD2IuCzH02VcQC5iEpUtrQSxEGB++OgZijaaCHT9fgNibKME6NgJiv/5wJfeWg7jMeQxq2gXi453J33YMiE9pJuVpTiBufIbWmMqB+JlVtF/HEcSDnOmuyF8QT3Cj6ryrIJ6egX87Rzlshbk/ekDCdgl6H1o4ygA8Z9ENEisKKczKDCRG99HOuBGQ8AvDx38jQCJgDDlu3AISgR+wg/0DidDVGBjqBBLZ5+goMwaJnmK8Y/AVJAb98LKwMEjqq2KkiC5IDiXin+5OkEq1pDKdiyCVJYJ1B2aDVGE24a0BkGoywCsqpiDV/Aurp9wDaU1F9H4rC9JzEznf/+RB2r6cE1XpBelDfIwd9wGkXZ/htVYDkL52ELOzB0A6W42zF6kZ5T/0GrMVpFtmc0KB4iDdvgpDGi+DdN83fH6sDaSHrcl2nBLIXNqOEcYDIBMwjtse0AMyyac48c1HQCa/m7YeFQKZhi/oNcsUZFq9MSKyE2S+auHNl89Advlxcjq3A2S3fqbzektB9lEKHpkdALKNvZjAL4exvBT8JPoFxibl4DU5W5Dzv4vJY3eCXMAGvHJIH8YF12FP9hOYsGoz6cwZhgmvvUjJpRbkFZPIq/s5yM8tplIvK5C3r8FyhzBQ+M+JMwluAwX7Qzh4LxQUNldyCxdlgcJo/reLv4HCsSlULqICCsGK+HFvMygkPsHbLftBoSUSY969AcXEMHLK7gbFux8w86sHKH6p5TJ99UFJ8S0XoCAKSqYilC5aD0oBNWQkOhaU8suw7OkEUPoySIqa40HpVy6JDzSBcqAUBQvcQPmxE36ISwSVVbtJS8sWVA4cw5KeT6ByaAeNLZsPqqYfsNlSG1RX/cbiJy9B7ZszaT6bDxOVj2JWxi2YuPogNuFvUG+Nw4S5DaBhP0Ugw5sGGq6WXLCGCWiEONOrT7dBI+cK1py9Chqtx/FV2jvQVFyNacFzQHNFEq250gCTSqUxp8sHJpUxvOfcClorTQQbZDxA69B/3LDmIdAKHI+ROgmgFexKv1cUgVa2Gt4oyADtUZ2UMQTaBgIS0s8BbYtEfOlxCLRXCtEYz2zQdvbHZOGfoJN9k2SGukDn61lMdgwBXeWfJK4jDLqHv2Hio9Og22xA041GORSMmaprQc8zAy8FqYNeqz6+ruqGKcGWWPbzMExptSHjU10w5WsANvVFwlRFP7zfpQRT7a0w3qVvlD+x87M0TG2YjKfe3B5lG55I2wlTh2/jSOxb0Fc0x8bat2AgbsnZnukHAwVlLtM2AAy0+rmsunQwmFHJ6e2ZCQZmQVRVKw4GtJ2iH2eDQfBETIg3BYPUzbTMLgimKXVgSUsqTDs0hK8UxMBQaSyGSy4Bw7nv0e+OFBh2Ax2TeAWGbwew4qYeTJf9ia1nZsL0724keasCZqgghg4Nw4xV1iScOhFmfG+iBX4SMFPVnsSygmGmwzq8258CM1tXY8TLaTCzQxVLNxXCrA5zDC6wASMlQ0FD9HgwmutE04IawMh0n7XPOhUwWhlDVmfXgJH9Cbxx6hgYrfK3NoxdD0arf2Pk5k9gtE6BzFzPgNHhW4J9eV5gFFrLbVd5Ckbh+ug32h9Gdz6TdeYIGEvNwFv8sWBskoJxo7rGh1wwLbcRjC+Ppwkq4jBbSYbmmB+E2dPksNvTEWabTsUn09/AHIXzFN83GebURWOChy/MabXBO192gwkTIt10ITBZE4jVBo0wN6SRskoWwNw7QiT89zHMbXlI7cddYe7wB1JUiAdThXekMjQbTPE2Bs3YCqZr9MhrTgaYuk0jTfmLMG/9WLxR6ALz2QMM0c2A+a2AN3hvYP63yRTpXQ8LlI3pdIgAFszzwfgkArOQBVjneAXMQoNpQg4HZtlXsF1hGMzuzCTpWd1g9tic697aDmYd37GRvwTMOrdiW85FMHs6C8NmI5g9V6e064/B7JUXflaVB7Ovy7m6zvdgrjAPq7/FgrnSbk591kwwNw0iw8DDYF5uxymFWIL5U+L85mSC+esJ1PTCHnhj6mh72grgqfuR7+1zwJs8Fz/yTgDPVAnzZ2QDj+Zh1e/lwOM+4o3a7cBbao3++lLAW32KhLa5Am9NGla8+A28bWJY1J4KvD0WmKjVBrx9S7AidzHwjl7Cp52PgOeWjw/8nIB3XBfvr1gLvFNXsf2WHPDOHMeBNh/geUdg6CWC0bMAs8fNBF5EAI1DFeBFWmFBxEvgJWzA5/FngZe+AxMC2oGXvZs6D54B3t1AzLj4HXhVg3jJUxF4dcOYLGkOvPpkDJPcDbyWBGpa5wi8AQXaPn9Ub+As7W1RHuU/rKl2Ad6QGLXF7gHe8Deb4vLR+K/nuTGO14D3zYYsPTaMsoVW6x4E3g9DsitYD/xxjeR0RAf446NJYGgJfHlpCivIBL6iuE1wzQHgK52lsp8XgK+8n/SS5YCvakCCVyPAnwmYE2AD/LniNnpP+cAfrctpNVHgz3MmyYjlwMcpWKgaAHx7RWv34sfAX8thqu0P4G/ehvnPlgF/mxaJPSgA/v6T+DPfAviu6oLNtRrAP7wD82RH49zqsL/TAfjuVvirbxPwfcrwD6sB/uXTJLGhFfj+t7A6qRL4gfqYtU8e+EGIVfU0yoeYFDEb+CHSnEv0U+BHrsG3siXAj3uKEbc1gZ9wCSM1tICfuBMDO+OBf8MOO65IAj/HgNJOxQE/3w0/KY36FWVhXsst4JfqYvYxZ+CXvcL3pwXAb3mOEQ/agN+Zg7kzCoH/4iUmF4QA/4s+li2oBwsFT0yXMQOLyXqYOXMiWOhf5iTjN4EF94JaXhiBxQ5jcth7CCyyF3FHD90Di5b1nOnonrJ4OsClXk4Fi+EgulRQDgsVpnGGk/8HCzWmU5e5Pyw0mUL26zfCwpXbaML0GFi4URZTt7vBwiF/WtP9DRbJZ1Dko0uwaPgivr9kCpYm+zDUOAMs7d/TGrF2sMxaQHHXL4Fls4B8t0wDy6G9JHv5f7BY8QOJNG+AxQs+Y2zbe1j8zJOb9DoKrKRW4pPTW8FK1QajNkiBlcYDOt/EA5b9nfDZPmBNynjriiWwVkPSmbARwP4NjvSkAEbE4qBjEZAK4K2wnUDT+dhzXgfI4TumOrQAp2BBumZuwHWUYqyvNQiM12LJhHIQREwWKBzrBcHdRdzgUX0QjD6nnLAeCH5soisXnMH6RD4WpiaB9YVCfF4SDdZhIdh47ApYt3pgttQBsFFkmOI2D2x0PUaHzgxsjJdQo8NnsLFQpvzcX2BjPUK/TovCEpXr+NytGJZszsfQv56wpLIc470+wFLpUyScVQ1LbQ5joWsSLO2ZQeZTTsDSQUWSPScMS/9UU+uNSFgmXUD7CuJgmcoNkpumDv+F92HWHj2wXf0/2uQqBisWiNCV6puwYo0OBZ74BSvcZuNd/Tmw4vttsq7YCHYSd6n2zGawU/lI6eJ+YKffRMWh28Fufid5Z20CO5tgkl+eB3YOm0lbggO78G0Yv+oo2P35SFIJU2ClSh42xCeB/ZYEkhIpAvuDqlh0eSusPuiBzbNkYK1KIiUsCIW1+pW06UQbrJ0fSsc1dsBaLgOLSw/CWocv2LtxLaw3LMYgvSFwvGeDZWbF4Ph4FXltygTHr674eYUtbFBKIcmjLbAxVwv/tUyAjY+18d2w9Chf4PPFEeB09CZtr3UBp/AqWm2XAk53JUnMuR2c38ihb+FM2NyxB2PkNsIW9Uyuf+x12LK+n9tWtA22REuQzas42HasDq+PN4Ntkd8w++g72BmWjYFdw7Dz1wmawL7CrolnaUwNB7vW/8Pi+B7YfXMRXm3thL1K3hiseBf26n0i/oQq2Du1jDoCw2CvQR8t7BiCvdP1SOraEjigMQX907rgoKobFg0+BRd1X5pg/ggOR4Zj+24FcPuvAe8lFoDbrmJ8UV8Oxybewcc718Axh0kYUrIc3Ndeww8sFNy955DcnBBwjwylIwUu4H41Af0zLoF7+m1SH7sC3CtnkuJkVXDvjCELKSs4cUsPn/P+g5Pqf/CV+WQ4+WcvZhV4wGm5s6Q//hWcVk4hhRJf8Kx9g7VpV8Dzo+PoHH0CLzl7LC53Ay+9WMxhi8ArfQuGP1QBr6IibL8/C7yntuDr4TDwnlWHAz9jwSftCbcgoBB8HgnTzQPu4POuFGN6NMHn408smb0RzskexfBJLXBuVhtmbVoM59xPYZhdHpzzG73vPwng/MRgMt3eCRc+iWNh3jnwm9WP33+bQoBCArZrDUFAShOGRShDQHoElu76CwF/+Zgi6gpBjW149W0XBOvlYHXpdghedQEDVTUgNCAbkzL+Qpj8WXyfVgBhi00xdUMlRNyMwuDwMxDz8A16r9sJMTXDeE9GDmI+R2BB/R6IjZqHkQFRELdkBLPyAOJFLfH9kRpIUfmFly33w3UVMfK53g/XP1VgTLUw3Jy1ClOXCCDDNQ/jPhlBtt8+7BBphlyNdLyxMgVyG3Zhdu9WyJvThL4uFyA/YhCjGoMgP2klXtNbAAWV5aS2fwYUVF8iT731UNBSyq3oWQ4Fw/WcusV2uK/QQMl9rVAYk4HpQbFQ+Hke3vXioGhrHPo3HoYSQ2tMzlGCsmVG+Nk+Gcpsi/CqTzuUXVXDH0d0oSxuEHvGmEBZgjvpTOdBWZIWya12gHLFNiz3CIXyE9K0SG06lHt8I9ukIiiPbsPMpzOh/M8DrBs6AuX/rtPiNXpQIaxPj7b/hQoRTy7Y6TNUiG3nROarQoVENnl5fIIKqTiSajSBCtmzJKS9GSrkC0n4QC9UTHuLmbkrocL9MaalGUKlaQXJlkVD5QIr7N20Giq/+mKJlh9UNYeR+K1Rft+LqaP/fHV2HwmhNVQ/USZJ2yio7grEO90xUN1XR8tC18EDTMKb3prwkKdBvVeboW5PGSaH+0OT+Gos1PkJTVkLMOzvr/8Dg4T4dA==</peaks>
+    </scan>
+    <scan num="8"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="361"
+          polarity="+"
+          retentionTime="PT2.4806S"
+          collisionEnergy="35.0"
+          lowMz="156.902130126953"
+          highMz="1310.2958984375"
+          basePeakMz="514.739013671875"
+          basePeakIntensity="3083.48974609375"
+          totIonCurrent="14822.7724609375"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="7" precursorIntensity="2.385675e05" precursorCharge="3" activationMethod="CID" windowWideness="2.0">535.25341796875</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="2691"
+             precision="32"
+             byteOrder="network"
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+          msLevel="2"
+          peaksCount="347"
+          polarity="+"
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+          collisionEnergy="35.0"
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+          basePeakMz="763.323425292969"
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+          totIonCurrent="11129.228515625"
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+      <peaks compressionType="zlib"
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contentType="m/z-int">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</peaks>
+    </scan>
+    <scan num="14"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="355"
+          polarity="+"
+          retentionTime="PT4.5432S"
+          collisionEnergy="35.0"
+          lowMz="284.050628662109"
+          highMz="1997.809448242188"
+          basePeakMz="796.256958007813"
+          basePeakIntensity="724.5126953125"
+          totIonCurrent="9983.359375"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="13" precursorIntensity="5.63173375e05" precursorCharge="3" activationMethod="CID" windowWideness="2.0">1002.079162597656</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="2624"
+             precision="32"
+             byteOrder="network"
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+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="68"
+          polarity="+"
+          retentionTime="PT6.9571S"
+          collisionEnergy="35.0"
+          lowMz="249.01611328125"
+          highMz="1266.886352539063"
+          basePeakMz="728.872741699219"
+          basePeakIntensity="48.879974365234"
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+          scanType="Full"
+          centroided="1"
+          msLevel="2"
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+          polarity="+"
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+      <peaks compressionType="zlib"
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+             precision="32"
+             byteOrder="network"
+             contentType="m/z-int">eJxzadu41aG77ZjLrne9jobn4wBHUghg</peaks>
+    </scan>
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+          msLevel="2"
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+          polarity="+"
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+          highMz="1090.980102539063"
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+    </scan>
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+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="220"
+          polarity="+"
+          retentionTime="PT11.1704S"
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+          totIonCurrent="4182.5048828125"
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+      <peaks compressionType="zlib"
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+      <peaks compressionType="zlib"
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contentType="m/z-int">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</peaks>
+    </scan>
+    <scan num="56"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="276"
+          polarity="+"
+          retentionTime="PT19.1514S"
+          collisionEnergy="35.0"
+          lowMz="174.991561889648"
+          highMz="1094.52099609375"
+          basePeakMz="561.032897949219"
+          basePeakIntensity="441.241516113281"
+          totIonCurrent="7950.4814453125"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="55" precursorIntensity="2.18145e05" precursorCharge="2" activationMethod="CID" windowWideness="2.0">570.735046386719</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="2072"
+             precision="32"
+             byteOrder="network"
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+             contentType="m/z-int">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</peaks>
+    </scan>
+    <scan num="64"
+          scanType="Full"
+          centroided="1"
+          msLevel="1"
+          peaksCount="729"
+          polarity="+"
+          retentionTime="PT21.8739S"
+          lowMz="370.399658203125"
+          highMz="1672.89697265625"
+          basePeakMz="395.239837646484"
+          basePeakIntensity="8.2260784e07"
+          totIonCurrent="2.76610624e08"
+          msInstrumentID="1">
+      <peaks compressionType="zlib"
+             compressedLen="5268"
+             precision="32"
+             byteOrder="network"
+             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+    </scan>
+    <scan num="65"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="144"
+          polarity="+"
+          retentionTime="PT22.2784S"
+          collisionEnergy="35.0"
+          lowMz="221.232269287109"
+          highMz="1487.718383789063"
+          basePeakMz="789.448791503906"
+          basePeakIntensity="217.730667114258"
+          totIonCurrent="2488.67822265625"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="64" precursorIntensity="1.0413578125e05" precursorCharge="2" activationMethod="CID" windowWideness="2.0">765.459899902344</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="1103"
+             precision="32"
+             byteOrder="network"
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+    </scan>
+    <scan num="66"
+          scanType="Full"
+          centroided="1"
+          msLevel="1"
+          peaksCount="869"
+          polarity="+"
+          retentionTime="PT22.6259S"
+          lowMz="371.211273193359"
+          highMz="1691.76171875"
+          basePeakMz="395.239837646484"
+          basePeakIntensity="7.4956448e07"
+          totIonCurrent="2.56370848e08"
+          msInstrumentID="1">
+      <peaks compressionType="zlib"
+             compressedLen="6261"
+             precision="32"
+             byteOrder="network"
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+    </scan>
+    <scan num="67"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="234"
+          polarity="+"
+          retentionTime="PT23.1481S"
+          collisionEnergy="35.0"
+          lowMz="170.247756958008"
+          highMz="1173.437255859375"
+          basePeakMz="636.357604980469"
+          basePeakIntensity="359.29443359375"
+          totIonCurrent="6280.791015625"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="66" precursorIntensity="1.15233765625e05" precursorCharge="3" activationMethod="CID" windowWideness="2.0">583.891662597656</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="1772"
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+      <peaks compressionType="zlib"
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+    </scan>
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+          scanType="Full"
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+    </scan>
+    <scan num="80"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="207"
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contentType="m/z-int">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</peaks>
+    </scan>
+    <scan num="84"
+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="328"
+          polarity="+"
+          retentionTime="PT29.1385S"
+          collisionEnergy="35.0"
+          lowMz="218.199722290039"
+          highMz="1388.705200195313"
+          basePeakMz="796.289367675781"
+          basePeakIntensity="956.196105957031"
+          totIonCurrent="10929.59765625"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="83" precursorIntensity="1.945130625e05" precursorCharge="2" activationMethod="CID" windowWideness="2.0">759.303833007813</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="2452"
+             precision="32"
+             byteOrder="network"
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+      <peaks compressionType="zlib"
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contentType="m/z-int">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+    </scan>
+    <scan num="97"
+          scanType="Full"
+          centroided="1"
+          msLevel="1"
+          peaksCount="679"
+          polarity="+"
+          retentionTime="PT34.9135S"
+          lowMz="371.011474609375"
+          highMz="1685.1826171875"
+          basePeakMz="395.239837646484"
+          basePeakIntensity="4.2699576e07"
+          totIonCurrent="1.21064016e08"
+          msInstrumentID="1">
+      <peaks compressionType="zlib"
+             compressedLen="4905"
+             precision="32"
+             byteOrder="network"
+             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+    </scan>
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+          scanType="Full"
+          centroided="1"
+          msLevel="2"
+          peaksCount="158"
+          polarity="+"
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+          lowMz="201.048004150391"
+          highMz="1093.651245117188"
+          basePeakMz="604.61328125"
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+          totIonCurrent="2406.760986328125"
+          msInstrumentID="2">
+      <precursorMz precursorScanNum="97" precursorIntensity="63568.62109375" precursorCharge="2" activationMethod="CID" windowWideness="2.0">613.757507324219</precursorMz>
+      <peaks compressionType="zlib"
+             compressedLen="1209"
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+             byteOrder="network"
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diff -r 175e062b6a17 -r dcd39bcc7481 test-data/single/combined/txt/allPeptides.txt
--- a/test-data/single/combined/txt/allPeptides.txt	Thu Aug 15 08:09:00 2019 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,166 +0,0 @@
-Raw file	Type	Charge	m/z	Mass	Uncalibrated m/z	Resolution	Number of data points	Number of scans	Number of isotopic peaks	PIF	Mass fractional part	Mass deficit	Mass precision [ppm]	Max intensity m/z 0	Retention time	Retention length	Retention length (FWHM)	Min scan number	Max scan number	Identified	MS/MS IDs	Sequence	Length	Modifications	Modified sequence	Proteins	Score	Intensity	Intensities	Isotope pattern	MS/MS Count	MSMS Scan Numbers	MSMS Isotope Indices
-BSA_min_23	MULTI	3	710.69967	2129.0772	710.69967	NaN	5	3	2		0.077192	0.0578164096173168	1.180035	711.033930698172	0.037	8.255	0	1	25		-1	 	0	 	 	 	NaN	27555	0;16823.720703125;10726.12109375;6644.5966796875;0	7737.3974609375;9086.3232421875	0		
-BSA_min_23	MULTI	3	1567.4354	4699.2845	1567.4354	NaN	5	3	2		0.284514	0.0828426326752378	7.986968	1568.10387245715	0.067	8.255	0	1	25		-1	 	0	 	 	 	NaN	137580	0;23479.5932617188;59085.9194335938;20990.259765625;0	0;0;53540.3203125;7305.36279296875	0		
-BSA_min_23	MULTI	2	466.26817	930.5218	466.26817	NaN	6	4	2		0.521797	0.0537564853223103	1.477127	466.26850803291	0.107	10.33	0	1	31		-1	 	0	 	 	 	NaN	33499	0;16896.8359375;13251.4482421875;29638.681640625;21903.5859375;0	22962.34375;6676.337890625	0		
-BSA_min_23	MULTI	2	835.80692	1669.5993	835.80692	NaN	7	4	2		0.599289	-0.208726257088529	1.196939	835.807035746435	0.107	10.33	0	1	31		-1	 	0	 	 	 	NaN	35250	0;14611.8764648438;18125.6357421875;25099.0166015625;15365.583984375;0	16483.943359375;8615.0732421875	0		
-BSA_min_23	MULTI	2	889.42648	1776.8384	889.42648	NaN	6	3	2		0.838398	-0.0189472723534436	2.943901	889.927320499287	0.107	8.255	0	1	25		-1	 	0	 	 	 	NaN	24592	0;9125.99072265625;13286.1201171875;16742.716796875;0	7208.8173828125;9533.8994140625	0		
-BSA_min_23	MULTI	2	378.70717	755.39978	378.70717	NaN	4	2	2		0.399783	0.0122990350871532	2.895866	378.7066995797	0.119	6.221	0	13	31		-1	 	0	 	 	 	NaN	17113	0;15764.96875;12169.2568359375;0	9865.826171875;5910.52587890625	0		
-BSA_min_23	MULTI	6	456.58136	2733.4445	456.58136	NaN	6	5	2		0.444504	0.14711979940148	1.365307	456.748107866223	0.139	12.618	0	7	43		-1	 	0	 	 	 	NaN	36582	0;9077.5439453125;13902.0874023438;19992.689453125;13010.4306640625;0;0	0;13844.125;6148.564453125	1	8	1
-BSA_min_23	MULTI	2	701.87367	1401.7328	701.87367	NaN	4	2	2		0.732779	0.0479819779827722	2.085359	701.87287295525	0.139	6.221	0	13	31		-1	 	0	 	 	 	NaN	19640	0;11736.2470703125;14934.2939453125;0	8433.541015625;6500.7529296875	0		
-BSA_min_23	MULTI	2	903.84665	1805.6788	903.84665	NaN	14	5	3		0.67875	-0.191861895242255	0.587413	903.846381489202	0.128	12.505	0	1	37		-1	 	0	 	 	 	NaN	89876	0;22660.5712890625;48080.4096679688;66770.5043945313;78759.361328125;39740.7744140625;0	39216.41796875;30181.7421875;16944.533203125	1	27	0
-BSA_min_23	MULTI	3	487.53462	1459.582	487.53462	NaN	16	8	3		0.582041	-0.129367074224319	0.655422	487.53461224021	0.133	19.043	0	1	55		-1	 	0	 	 	 	NaN	84731	0;7211.73095703125;32638.8959960938;79787.74609375;74581.1875;40743.359375;31912.87890625;10748.6064453125;5496.4296875;0	40288.40234375;32200.93359375;13735.64453125	1	33	1
-BSA_min_23	MULTI	3	583.22015	1746.6386	583.22015	NaN	7	4	2		0.638625	-0.204828530265331	2.286815	583.220239813966	0.176	10.457	0	7	37		-1	 	0	 	 	 	NaN	42292	0;4036.83081054688;17411.11328125;19834.8046875;29221.802734375;0	17431.560546875;11790.2421875	0		
-BSA_min_23	MULTI	3	635.60251	1903.7857	635.60251	NaN	11	5	3		0.785698	-0.130043202729439	1.119621	635.602244079812	0.167	12.618	0	7	43		-1	 	0	 	 	 	NaN	45493	0;8725.0478515625;17613.3891601563;33308.2824707031;39386.6171875;0;0	17209.375;13758.326171875;9491.1767578125	0		
-BSA_min_23	MULTI	2	730.79903	1459.5835	730.79903	NaN	10	6	2		0.583509	-0.127899156014337	0.609982	730.799136547346	0.151	14.666	0	1	43		-1	 	0	 	 	 	NaN	77496	0;5839.765625;27434.9599609375;42471.279296875;58278.560546875;32345.4384765625;15650.7568359375;0	39553.00390625;19513.171875	1	29	0
-BSA_min_23	MULTI	2	996.94429	1991.874	996.94429	NaN	15	13	2		0.874033	-0.0822288372489766	0.911071	997.446155697545	0.123	28.656	0	7	87		-1	 	0	 	 	 	NaN	44879	0;20391.6489257813;28769.4560546875;39230.09765625;19622.400390625;13010.86328125;12843.5712890625;12676.279296875;15763.220703125;13381.2666015625;18258.947265625;16122.5546875;0;0;0	20617.05859375;21871.28515625	0		
-BSA_min_23	MULTI	1	553.54774	552.54046	553.54774	NaN	5	4	2		0.540459	0.246290167421193	1.417869	553.548098212165	0.187	10.558	0	13	43		-1	 	0	 	 	 	NaN	28661	0;7194.10693359375;13920.0515136719;27294.748046875;9278.2734375;0	20645.99609375;9278.2734375	0		
-BSA_min_23	MULTI	3	587.56748	1759.6806	587.56748	NaN	16	10	3		0.680607	-0.1688458310025	2.658571	587.569121985401	0.212	22.334	0	19	81		-1	 	0	 	 	 	NaN	57560	0;13109.6430664063;29217.251953125;50790.830078125;21790.4321289063;20568.8234863281;10979.0302734375;9119.8173828125;8416.8525390625;11413.40234375;0;0	24772.69140625;14722.291015625;11295.84765625	0		
-BSA_min_23	MULTI	3	590.55881	1768.6546	590.55881	NaN	44	18	3		0.654589	-0.198991658837258	0.411116	590.558889154599	0.216	36.791	0	1	99		-1	 	0	 	 	 	NaN	1187800	0;6216.87548828125;36925.4790039063;184930.421875;385803.203125;733406.8125;1048139.10742188;905412.859375;792319.85546875;549991.755859375;589044.734375;506728.80859375;400140.365234375;396169.784179688;195725.788085938;105788.993164063;82565.4755859375;42732.5029296875;42157.044921875;0	871911.75;160150.890625;29449.3046875	0		
-BSA_min_23	MULTI	3	590.58179	1768.7235	590.58179	NaN	9	5	3		0.723529	-0.130083827993076	4.805278	591.247820427107	0.227	12.954	0	25	61		-1	 	0	 	 	 	NaN	32803	0;9242.7578125;31178.3193359375;28945.6411132813;8860.56640625;9516.63671875;0	8819.9521484375;11911.1708984375;15289.587890625	0		
-BSA_min_23	MULTI	3	591.22358	1770.6489	591.22358	NaN	11	6	3		0.648921	-0.205577517300526	3.134973	591.223392793869	0.181	14.934	0	13	55		-1	 	0	 	 	 	NaN	91403	0;19490.4609375;30658.0615234375;80654.2841796875;37342.1201171875;24294.84765625;19072.224609375;0	38292.2890625;32139.36328125;11321.0419921875	0		
-BSA_min_23	MULTI	6	587.87625	3521.2138	587.87625	NaN	4	2	2		0.213834	-0.445924567463408	2.804544	588.210180411215	0.196	6.411	0	25	43		-1	 	0	 	 	 	NaN	34349	0;13874.8486328125;17290.8774414063;0	0;8027.1103515625;10157.0458984375	0		
-BSA_min_23	MULTI	6	590.40822	3536.4057	590.40822	NaN	4	2	2		0.405687	-0.261060095588618	3.917432	590.57477054294	0.212	6.411	0	25	43		-1	 	0	 	 	 	NaN	56199	0;16573.9814453125;28139.0107421875;0	0;19273.1171875;8865.8935546875	0		
-BSA_min_23	MULTI	1	589.20341	588.19613	589.20341	NaN	10	7	2		0.196134	-0.114435800485126	4.426744	589.201051822874	0.212	17.1	0	13	61		-1	 	0	 	 	 	NaN	68164	0;14854.7666015625;37177.287109375;46327.6962890625;64286.15625;26063.041015625;23368.17578125;17158.552734375;0	41388.5234375;22897.6328125	1	10	0
-BSA_min_23	MULTI	7	590.66192	4127.5825	590.66192	NaN	4	2	2		0.582521	-0.356166474299243	4.67407	590.947686227246	0.212	6.411	0	25	43		-1	 	0	 	 	 	NaN	44692	0;18000.388671875;19312.4345703125;0	0;8137.1513671875;11175.283203125	0		
-BSA_min_23	MULTI	3	1567.3197	4698.9374	1567.3197	NaN	9	7	2		0.937419	-0.264092711297053	3.412485	1568.32398965869	0.199	17.1	0	13	61		-1	 	0	 	 	 	NaN	89862	0;18336.91015625;24437.509765625;21274.6474609375;38593.7509765625;24568.837890625;22314.265625;0;0	0;0;14312.962890625;26823.41015625	0		
-BSA_min_23	MULTI	2	441.71645	881.41834	441.71645	NaN	16	10	2		0.41834	-0.0271124766325102	0.367629	441.716375382017	0.139	23.006	0	1	65		-1	 	0	 	 	 	NaN	114490	0;5712.41015625;26837.841796875;55472.7392578125;102380.125;83058.240234375;69780.052734375;41715.6982421875;19781.36328125;16646.99609375;7474.2314453125;0	69811.8125;32568.3125	1	24	0
-BSA_min_23	MULTI	4	589.26254	2353.0211	589.26254	NaN	10	7	2		0.021052	-0.101337473261083	2.163457	589.513471781483	0.248	16.795	0	19	65		-1	 	0	 	 	 	NaN	86626	0;13832.5556640625;20902.3041992188;29452.2314453125;49581.69921875;13312.3544921875;13739.1064453125;12947.478515625;0	20231.46484375;29350.234375	0		
-BSA_min_23	MULTI	3	589.2688	1764.7846	589.2688	NaN	10	7	2		0.784571	-0.0672303921774073	2.394204	589.269187431499	0.248	16.795	0	19	65		-1	 	0	 	 	 	NaN	96565	0;18051.07421875;23263.3901367188;38484.591796875;37740.23046875;17053.97265625;12810.2265625;17373.419921875;0	37740.23046875;28981.341796875	0		
-BSA_min_23	MULTI	6	680.96393	4079.7399	680.96393	NaN	16	8	3		0.73991	-0.176770254570329	0.763825	681.298098346713	0.169	19.043	0	1	55		-1	 	0	 	 	 	NaN	69972	0;7875.16064453125;13812.1008300781;46568.4580078125;38948.9130859375;50431.388671875;44762.7075195313;26269.5;0;0	0;19749.041015625;25162.62109375;18991.82421875	0		
-BSA_min_23	MULTI	3	694.975	2081.9032	694.975	NaN	4	2	2		0.903176	-0.0944992764948438	1.98739	695.308482832509	0.229	6.519	0	31	49		-1	 	0	 	 	 	NaN	43441	0;27048.9365234375;23994.908203125;0	12837.9169921875;14675.716796875	0		
-BSA_min_23	MULTI	2	428.70867	855.40279	428.70867	NaN	11	7	2		0.40279	-0.030695093111035	1.073214	428.708371254103	0.285	16.376	0	31	75		-1	 	0	 	 	 	NaN	72480	0;10360.298828125;22505.4140625;65483.0126953125;49747.6396484375;35665.490234375;22419.4526367188;10354.0390625;0	49312.55078125;16170.4619140625	0		
-BSA_min_23	MULTI	2	430.21365	858.41275	430.21365	NaN	56	18	4		0.412751	-0.0221191473186764	0.28045	430.213569645561	0.209	36.791	0	1	99		-1	 	0	 	 	 	NaN	4623200	0;34295.154296875;247447.940429688;1035511.25878906;2505087.02734375;4312550.0546875;4609390.8671875;3267685.98828125;1936857.54882813;987995.364257813;518202.7734375;378482.723632813;225659.90234375;148931.6015625;90459.423828125;74133.505859375;59664.51953125;42756.328125;48168.0751953125;0	2924319.75;1336448.875;317050.875;47937.1484375	0		
-BSA_min_23	MULTI	3	432.22869	1293.6642	432.22869	NaN	9	7	2		0.664245	0.0291590861361328	2.055825	432.229065505774	0.285	16.598	0	25	71		-1	 	0	 	 	 	NaN	55443	0;19237.4482421875;25296.216796875;29169.5;23524.728515625;19180.0048828125;14835.28125;0;0	23524.728515625;21770.6953125	0		
-BSA_min_23	MULTI	1	460.25434	459.24706	460.25434	NaN	28	16	3		0.247062	-0.00419145888525918	0.359504	460.254226120215	0.248	32.682	0	13	99		-1	 	0	 	 	 	NaN	386290	0;18950.966796875;57632.0576171875;158822.998046875;305416.00390625;384578.478515625;360408.093261719;205314.599609375;127072.083984375;69260.1640625;49188.4482421875;33121.2827148438;12829.283203125;7028.54736328125;11180.828125;6266.0771484375;7068.74951171875;0	314043.3125;61547.9765625;8987.189453125	1	62	0
-BSA_min_23	MULTI	3	591.30445	1770.8915	591.30445	NaN	6	4	2		0.891506	0.0368961847357241	4.017689	591.303334815147	0.268	10.879	0	31	61		-1	 	0	 	 	 	NaN	24534	0;6805.34619140625;17013.9306640625;16952.1157226563;7297.40283203125;0	10457.189453125;8804.8056640625	0		
-BSA_min_23	MULTI	1	636.24185	635.23457	636.24185	NaN	14	10	2		0.234574	-0.097633573559051	1.262368	636.241538174231	0.212	22.334	0	19	81		-1	 	0	 	 	 	NaN	39209	0;20621.6401367188;27859.341796875;36664.375;22582.1071777344;21407.59375;17827.244140625;10265.005859375;13880.87890625;20598.76953125;13299.2958984375;0	24925.7734375;11738.6015625	0		
-BSA_min_23	MULTI	2	647.8399	1293.6653	647.8399	NaN	9	6	2		0.665251	0.0301650765775321	1.206688	647.839872936317	0.274	14.751	0	25	65		-1	 	0	 	 	 	NaN	41897	0;4950.98583984375;25782.7021484375;31775.087890625;34228.533203125;13141.09375;10427.9638671875;0	27702.662109375;10557.603515625	0		
-BSA_min_23	MULTI	3	648.60271	1942.7863	648.60271	NaN	81	18	6		0.786297	-0.147384742754411	0.198619	648.937253989719	0.583	36.791	0	1	99		-1	 	0	 	 	 	NaN	1563500	0;28065.0712890625;144251.646484375;389656.83203125;736920.159179688;1094641.56054688;1292480.34912109;1036547.359375;727666.177246094;372076.64453125;191775.291992188;122221.28125;109954.0703125;135743.643554688;353673.58984375;632287.634765625;990694.857421875;1311200.26757813;1541312.05859375;0	508366;535231.6875;299580.0625;148481.140625;49653.16796875;15299.09375	1	16	0
-BSA_min_23	MULTI	3	686.59653	2056.7677	686.59653	NaN	36	14	4		0.767747	-0.218366349177359	0.461926	686.931051686353	0.223	29.803	0	13	95		-1	 	0	 	 	 	NaN	123510	0;26569.39453125;43388.482421875;82031.52734375;116862.93359375;85939.5791015625;79684.021484375;88727.9345703125;58203.310546875;65348.49609375;38263.107421875;29457.708984375;11792.2431640625;9849.99194335938;0;0	42148.32421875;47932.00390625;24425.791015625;16167.17578125	3	45;40;68	0;1;1
-BSA_min_23	MULTI	2	895.31237	1788.6102	895.31237	NaN	10	8	2		0.610186	-0.252574695746944	0.982614	895.311913529083	0.233	18.642	0	19	71		-1	 	0	 	 	 	NaN	47062	0;11361.0126953125;28555.4921875;31371.5551757813;32040.1845703125;10788.408203125;10082.818359375;9289.83984375;0;0	18817.9765625;14035.2080078125	0		
-BSA_min_23	MULTI	2	972.40141	1942.7883	972.40141	NaN	59	18	5		0.788268	-0.145414989355231	0.274528	972.40177460238	0.329	36.791	0	1	99		-1	 	0	 	 	 	NaN	262800	0;4246.1767578125;40125.2734375;77208.6850585938;182910.365234375;242426.985351563;287777.103515625;252841.328125;176875.372558594;94570.7978515625;50701.9379882813;38260.4731445313;35132.99609375;34651.349609375;74085.322265625;137379.70703125;198600.7109375;179856.0546875;0;0	112759.3515625;101588.5859375;56878.29296875;19207.091796875;17738.21875	2	26;84	0;2
-BSA_min_23	MULTI	2	1054.9589	2107.9032	1054.9589	NaN	8	8	2		0.903178	-0.106457494352071	1.87249	1054.95831933837	0.248	19.043	0	1	55		-1	 	0	 	 	 	NaN	47001	0;5775.53662109375;5430.14599609375;6930.13110351563;8430.1162109375;14657.7099609375;17964.1782226563;7995.19384765625;6607.6357421875;0	21270.646484375;7995.19384765625	0		
-BSA_min_23	MULTI	4	589.59562	2354.3534	589.59562	NaN	8	5	2		0.353382	0.230379921541953	1.530345	589.595656530174	0.248	12.954	0	25	61		-1	 	0	 	 	 	NaN	64579	0;10925.0244140625;14820.3544921875;36963.216796875;16641.0244140625;16239.8159179688;0	20175.87109375;16787.345703125	0		
-BSA_min_23	MULTI	5	800.1518	3995.7226	800.1518	NaN	14	10	2		0.722628	-0.155404568714857	1.56124	800.552919826053	0.247	23.006	0	1	65		-1	 	0	 	 	 	NaN	73479	0;7012.5498046875;17109.7705078125;17021.0578613281;16932.3452148438;23082.3002929688;32776.265625;30806.3974609375;16545.03515625;0;0;0	0;11061.5537109375;22995.376953125	0		
-BSA_min_23	MULTI	5	844.16903	4215.8088	844.16903	NaN	7	6	2		0.808778	-0.170493596866436	1.166755	844.570172636809	0.298	14.997	0	19	61		-1	 	0	 	 	 	NaN	65701	0;6662.13818359375;15565.4140625;15275.6889648438;14985.9638671875;28904.6640625;11368.2294921875;0	0;0;18802.0625;11368.2294921875	1	50	2
-BSA_min_23	MULTI	3	1177.4423	3529.3049	1177.4423	NaN	31	8	5		0.304927	-0.358553529394612	0.554566	1178.11094415404	0.226	18.642	0	19	71		-1	 	0	 	 	 	NaN	160080	0;25418.8247070313;84027.6923828125;147076.34765625;95005.095703125;99895.0546875;54558.0444335938;22814.7470703125;9474.4794921875;0	22083.86328125;29197.080078125;38720.5078125;38302.7109375;20034.43359375	1	54	2
-BSA_min_23	MULTI	3	429.59098	1285.7511	429.59098	NaN	9	6	2		0.751124	0.119678009973768	0.795953	429.591100408506	0.299	14.751	0	25	65		-1	 	0	 	 	 	NaN	25960	0;9942.990234375;12223.828125;22023.7788085938;21208.0751953125;19558.7470703125;7473.99072265625;0	15311.27734375;9648.9921875	0		
-BSA_min_23	MULTI	3	558.88808	1673.6424	558.88808	NaN	33	10	4		0.642405	-0.16747048189427	0.374903	558.887989238826	0.283	22.598	0	13	75		-1	 	0	 	 	 	NaN	150180	0;18954.7646484375;31117.8129882813;66254.8271484375;104159.986328125;143830.784179688;136875.25390625;145330.196289063;92728.7651367188;56655.2822265625;30203.2490234375;0	62266.4921875;54142.33203125;24202.330078125;12673.5869140625	1	42	0
-BSA_min_23	MULTI	3	583.22091	1746.6409	583.22091	NaN	7	5	2		0.640893	-0.202562289989373	2.657576	583.221826764718	0.37	12.04	0	43	75		-1	 	0	 	 	 	NaN	48316	0;7266.328125;24042.4111328125;21761.0380859375;17102.5625;8603.3798828125;0	17102.5625;14185.3974609375	0		
-BSA_min_23	MULTI	3	589.24553	1764.7148	589.24553	NaN	20	7	4		0.71476	-0.1370085531521	3.321376	589.579177355132	0.375	16.038	0	43	87		-1	 	0	 	 	 	NaN	180380	0;120746.40625;71609.04296875;105408.171875;56063.1953125;109808.34765625;60442.056640625;4558.28564453125;0	45153.94921875;59415.44921875;39429.60546875;12798.376953125	0		
-BSA_min_23	MULTI	1	589.20529	588.19801	589.20529	NaN	12	8	3		0.198011	-0.112559939114476	4.062914	589.207617474111	0.357	17.062	0	49	95		-1	 	0	 	 	 	NaN	73018	0;53960.787109375;72389.8291015625;40800.3193359375;44698.54296875;20254.080078125;12971.00390625;11112.0151367188;0;0	49007.08203125;10904.8369140625;12477.91015625	0		
-BSA_min_23	MULTI	1	651.3082	650.30092	651.3082	NaN	6	5	2		0.300919	-0.0382193743422476	4.345627	651.306472473807	0.344	12.677	0	31	65		-1	 	0	 	 	 	NaN	20074	0;8384.5419921875;7275.85791015625;6167.173828125;13858.3330078125;6251.76123046875;0	12519.9287109375;6966.7021484375	0		
-BSA_min_23	MULTI	2	747.85609	1493.6976	747.85609	NaN	11	7	2		0.697633	-0.0294677741956093	0.691649	747.856213318885	0.299	16.041	0	37	81		-1	 	0	 	 	 	NaN	59701	0;28644.3671875;44153.337890625;35112.1796875;35337.53125;18053.107421875;8359.4873046875;14446.8232421875;0	27482.5703125;17998.302734375	1	53	0
-BSA_min_23	MULTI	2	837.82914	1673.6437	837.82914	NaN	18	8	3		0.643732	-0.166143809373125	0.889933	837.829569807565	0.278	18.642	0	19	71		-1	 	0	 	 	 	NaN	45616	0;6693.94580078125;31269.3012695313;30541.4719238281;40796.029296875;44514.17578125;36172.994140625;25499.6586914063;0;0	23606.51953125;13825.3603515625;13984.6650390625	0		
-BSA_min_23	MULTI	1	859.42116	858.41388	859.42116	NaN	29	12	3		0.41388	-0.0209899612918889	0.465312	859.420851660869	0.212	26.498	0	7	81		-1	 	0	 	 	 	NaN	557710	0;13290.1416015625;100594.213378906;266763.046875;435235.05078125;547257.05078125;345990.283203125;205504.112304688;104794.486083984;52481.205078125;40870.79296875;20906.578125;8576.1142578125;0	370233.71875;140401.5625;36621.76953125	0		
-BSA_min_23	MULTI	2	491.77345	981.53235	491.77345	NaN	11	8	2		0.532354	0.0408495872873118	0.527154	491.773380944561	0.321	18.216	0	31	81		-1	 	0	 	 	 	NaN	104360	0;7303.05908203125;16159.2209472656;40807.0859375;91648.3046875;54694.38671875;47368.5234375;10526.0244140625;0;0	66131.3984375;25516.90625	1	57	0
-BSA_min_23	MULTI	3	592.55974	1774.6574	592.55974	NaN	48	14	4		0.657399	-0.198943483430185	1.383794	592.557537743774	0.212	29.803	0	13	95		-1	 	0	 	 	 	NaN	149790	0;33910.7260742188;73662.5844726563;106855.57421875;144205.1171875;127660.017578125;113099.659179688;93423.3173828125;92180.3530273438;88326.3466796875;62982.400390625;51552.6787109375;34595.330078125;10545.2788085938;8610.5205078125;0	51832.45703125;50291.87890625;28175.7578125;13905.0234375	1	41	0
-BSA_min_23	MULTI	4	622.78441	2487.1085	622.78441	NaN	8	6	2		0.10854	-0.0755302702068548	0.752493	623.035146207179	0.374	14.523	0	31	71		-1	 	0	 	 	 	NaN	58074	0;14045.986328125;10214.845703125;8615.2275390625;7945.20458984375;24766.828125;32086.125;0	0;26683.396484375;9956.7880859375	0		
-BSA_min_23	MULTI	2	629.35657	1256.6986	629.35657	NaN	33	14	3		0.698585	0.0805035920807313	0.437259	629.356557471474	0.352	28.535	0	25	99		-1	 	0	 	 	 	NaN	84871	0;26214.005859375;39450.3032226563;73265.43359375;83140.2016601563;77743.1044921875;40797.9233398438;57422.8359375;42278.9248046875;34750.2763671875;50503.193359375;38396.876953125;40255.9130859375;33574.0908203125;25437.541015625;0	47581.3515625;28788.931640625;14806.8837890625	2	52;82	0;1
-BSA_min_23	MULTI	2	639.79864	1277.5827	639.79864	NaN	22	10	3		0.582733	-0.0449549559814386	0.453043	639.798354752547	0.285	22.449	0	25	87		-1	 	0	 	 	 	NaN	202210	0;21600.9716796875;56057.6875;166454.69140625;192240.62890625;156445.912109375;99187.6984863281;53563.9375;39280.8115234375;15744.3818359375;8112.8779296875;0	89415.890625;77012.4609375;25812.27734375	0		
-BSA_min_23	MULTI	6	703.14052	4212.7995	703.14052	NaN	30	15	3		0.799472	-0.178415391231283	0.446242	703.641797424229	0.232	32.468	0	1	91		-1	 	0	 	 	 	NaN	124220	0;4114.4375;6742.03955078125;44575.62890625;22601.6904296875;25303.7998046875;78536.439453125;85620.849609375;56643.9921875;51514.5390625;65689.0830078125;50273.03125;22991.4169921875;11016.083984375;8830.76708984375;0;0	0;20171.275390625;30924.18359375;38276.57421875	2	38;46	3;3
-BSA_min_23	MULTI	2	883.33306	1764.6516	883.33306	NaN	107	18	7		0.651567	-0.200172994590503	0.40735	883.333804513352	0.221	36.791	0	1	99		-1	 	0	 	 	 	NaN	7791700	0;63657.4609375;417828.625488281;1563921.73925781;4984059.33300781;7615291.18847656;7787687.57324219;7739859.88183594;7045976.23242188;5556411.3984375;4645030.30273438;4986375.23046875;3504478.94238281;2470150.67773438;2064311.35058594;882280.721679688;421294.862304688;306400.518554688;238636.072265625;0	2940086.75;2482749.75;1540868.375;622527.5;214791.90625;47866.33203125;15473.23046875	1	14	0
-BSA_min_23	MULTI	1	553.27749	552.27021	553.27749	NaN	17	12	2		0.270214	-0.0238298753067738	0.419815	553.277311678574	0.381	24.286	0	37	99		-1	 	0	 	 	 	NaN	97228	0;20312.01171875;57889.08203125;68388.345703125;76141.0166015625;92593.984375;64140.8876953125;32069.373046875;21096.072265625;22598.16796875;10602.947265625;9876.5322265625;7587.9228515625;0	69193.0859375;23400.8984375	0		
-BSA_min_23	MULTI	3	586.58021	1756.7188	586.58021	NaN	19	12	2		0.718794	-0.129296646628973	1.727613	586.581526045349	0.235	26.596	0	13	87		-1	 	0	 	 	 	NaN	57990	0;8277.3671875;12366.5791015625;38181.6318359375;41469.95703125;40067.9775390625;31940.892578125;30886.6953125;32483.7431640625;29524.6865234375;19519.904296875;9948.9228515625;8517.7197265625;0	27155.314453125;15094.3203125	0		
-BSA_min_23	MULTI	3	603.56731	1807.6801	603.56731	NaN	41	18	4		0.680103	-0.191430144872356	0.687192	603.567778225039	0.401	36.791	0	1	99		-1	 	0	 	 	 	NaN	192200	0;17239.70703125;38398.140625;68209.7578125;44680.146484375;36875.982421875;17964.818359375;23854.7690429688;29744.7197265625;74021.4399414063;150967.462158203;184519.19140625;163861.6015625;134130.147460938;71457.2280273438;42130.4716796875;27869.7397460938;11256.84375;0;0	121882.3984375;41811.76171875;29758.44140625;9925.435546875	0		
-BSA_min_23	MULTI	3	716.61937	2146.8363	716.61937	NaN	16	11	2		0.836268	-0.191276456705054	0.724685	716.619541654578	0.205	24.493	0	19	87		-1	 	0	 	 	 	NaN	48311	0;12849.6088867188;29496.421875;24679.8012695313;20412.23046875;20214.001953125;17518.896484375;15178.76953125;7751.4482421875;7232.26953125;0;0;0	18274.05078125;12429.9521484375	0		
-BSA_min_23	MULTI	2	889.45894	1776.9033	889.45894	NaN	18	10	2		0.903322	0.0459469528414047	2.232712	889.456361948479	0.212	22.334	0	19	81		-1	 	0	 	 	 	NaN	41697	0;15064.0639648438;22494.416015625;28388.18359375;25469.2763671875;23399.1943359375;16294.8203125;17724.4072265625;15767.923828125;12930.5112304688;0;0	14872.3779296875;13515.8056640625	0		
-BSA_min_23	MULTI	4	1010.44	4037.731	1010.44	NaN	18	14	2		0.731019	-0.166337457265854	1.035594	1010.94162100229	0.436	30.704	0	1	87		-1	 	0	 	 	 	NaN	112280	0;10156.712890625;7766.62036132813;5376.52783203125;6872.99877929688;17473.41015625;25195.6303710938;28296.6430664063;29709.97265625;33089.5224609375;17869.90625;26438.134765625;15265.9873046875;0;0;0	0;0;26905.4921875;21646.40625	1	73	2
-BSA_min_23	MULTI	2	687.86548	1373.7164	687.86548	NaN	11	7	2		0.716404	0.0444939738997618	0.960545	687.865353952537	0.37	15.619	0	49	91		-1	 	0	 	 	 	NaN	33144	0;18385.0322265625;27934.1484375;25495.43359375;26159.4575195313;12532.0517578125;15928.9736328125;8517.1220703125;0	17509.4921875;14851.484375	0		
-BSA_min_23	MULTI	1	756.32462	755.31735	756.32462	NaN	31	14	3		0.317345	-0.0701008216196897	0.327551	756.324380191374	0.364	28.535	0	25	99		-1	 	0	 	 	 	NaN	378430	0;7204.44580078125;47255.345703125;94307.564453125;199828.15625;309160.737304688;373160.3984375;383085.8203125;296717.079589844;255018.177734375;110075.21875;66738.6669921875;45039.916015625;36704.9519042969;21860.240234375;0	274205.625;101792.2734375;17816.484375	0		
-BSA_min_23	MULTI	1	818.46323	817.45595	818.46323	NaN	51	15	4		0.455952	0.039922490754293	0.2572	818.463044517742	0.285	30.579	0	19	99		-1	 	0	 	 	 	NaN	3540200	0;53608.748046875;307344.940429688;1101364.30078125;2413991.0859375;3530726.27148438;3342216.4921875;2629555.02734375;1868843.86523438;999259.843261719;683486.513183594;365709.935546875;231673.184570313;185454.544921875;139522.327148438;106922.21875;0	2380896.25;915269.6875;204690.5;35263.4921875	0		
-BSA_min_23	MULTI	2	903.84679	1805.679	903.84679	NaN	34	11	4		0.679035	-0.191577353619095	0.48854	903.847098691041	0.38	22.125	0	43	99		-1	 	0	 	 	 	NaN	257580	0;29697.7915039063;100644.701171875;163376.744140625;247293.284179688;185513.967773438;127613.503417969;94954.935546875;42225.22265625;38496.125;12596.8403320313;5977.19482421875;0	118280.4140625;73372.453125;46765.7578125;13157.82421875	0		
-BSA_min_23	MULTI	2	931.3282	1860.6419	931.3282	NaN	36	15	3		0.641851	-0.254043941709597	0.456838	931.829732563865	0.234	31.25	0	13	99		-1	 	0	 	 	 	NaN	125990	0;8562.439453125;70787.5283203125;100848.892578125;120559.4921875;109631.466796875;105017.98046875;50258.771484375;77050.14453125;74874.2705078125;50473.3837890625;51247.396484375;25470.8732910156;5476.83740234375;5522.0751953125;5731.56689453125;0	52031.57421875;58461.62109375;26591.400390625	2	34;28	0;1
-BSA_min_23	MULTI	2	1173.0764	2344.1383	1173.0764	NaN	19	8	3		0.13827	0.0199663555176812	0.825604	1174.0796454798	0.413	17.802	0	43	91		-1	 	0	 	 	 	NaN	87851	0;10028.392578125;28740.2319335938;59576.18359375;55903.1953125;70638.875;56200.3173828125;15527.8002929688;5090.19873046875;0	24950.53125;23081.546875;25835.8671875	2	69;80	0;1
-BSA_min_23	MULTI	2	618.78778	1235.561	618.78778	NaN	7	4	2		0.561004	-0.0473540196164777	1.240728	618.787640334343	0.429	9.462	0	65	91		-1	 	0	 	 	 	NaN	27796	0;22946.2563476563;26823.1875;19044.109375;10336.0966796875;0	17339.525390625;14209.6103515625	0		
-BSA_min_23	MULTI	3	664.96461	1991.872	664.96461	NaN	31	14	3		0.871989	-0.0842722382756165	0.360972	664.96435959133	0.156	30.704	0	1	87		-1	 	0	 	 	 	NaN	150530	0;19021.6748046875;57591.6669921875;128168.81640625;119438.103515625;69031.9580078125;56302.2685546875;36752.7612304688;44651.83984375;48432.5732421875;76716.802734375;54665.783203125;46903.35546875;45491.83984375;0;0	58531.14453125;50156.61328125;26759.197265625	3	23;60;78	0;1;2
-BSA_min_23	MULTI	6	674.46385	4040.7395	674.46385	NaN	11	9	2		0.739469	-0.159271653350061	0.978682	674.798182396693	0.404	19.963	0	37	91		-1	 	0	 	 	 	NaN	114520	0;12331.5234375;10114.7980957031;7898.07275390625;17520.98046875;43937.791015625;50499.82421875;23191.53125;11671.2548828125;0;0	0;0;31120.861328125;20215.091796875	0		
-BSA_min_23	MULTI	2	691.87196	1381.7294	691.87196	NaN	16	10	2		0.729372	0.0537767762689327	1.082013	691.872427270586	0.406	22.138	0	31	91		-1	 	0	 	 	 	NaN	33870	0;7598.06591796875;23095.935546875;15574.3466796875;17945.990234375;18301.7958984375;25754.3076171875;23125.53515625;15916.8828125;14170.3232421875;7741.6513671875;0	16710.921875;11356.798828125	0		
-BSA_min_23	MULTI	2	1177.5828	2353.151	1177.5828	NaN	11	6	2		0.150986	0.0285370454794247	2.161462	1178.08585963192	0.37	13.855	0	49	87		-1	 	0	 	 	 	NaN	46538	0;11669.9208984375;28614.43359375;25744.4228515625;24130.341796875;25307.376953125;20945.0229492188;0	0;17243.728515625;13207.12109375	1	70	2
-BSA_min_23	MULTI	6	384.98771	2303.8826	384.98771	NaN	5	3	2		0.882605	-0.217181403296308	1.822911	385.154726220853	0.514	7.205	0	75	95		-1	 	0	 	 	 	NaN	26457	0;11753.0673828125;10523.4365234375;8568.8720703125;0	6245.81005859375;8568.8720703125	0		
-BSA_min_23	MULTI	1	389.21213	388.20485	389.21213	NaN	19	13	2		0.204849	-0.0137255252419095	1.430209	389.212506114309	0.24	27.7	0	19	95		-1	 	0	 	 	 	NaN	67551	0;21162.751953125;18024.279296875;53808.48828125;52440.08203125;51071.67578125;29074.216796875;50962.8720703125;44968.1010742188;39503.4462890625;33521.2041015625;19159.7685546875;14809.7846679688;0;0	53808.48828125;8534.9951171875	0		
-BSA_min_23	MULTI	1	403.23669	402.22941	403.23669	NaN	35	13	4		0.229413	0.00438707227596069	0.392234	403.236836789169	0.584	26.461	0	31	99		-1	 	0	 	 	 	NaN	2321700	0;6030.353515625;17721.548828125;69610.875;168147.896484375;317808.334960938;611832.715332031;819965.202148438;1075143.73242188;1810279.78125;1615521.4765625;2122466.39355469;2181724.74121094;2321029.74902344;0	2029285.375;262174.15625;33813.23828125;5109.6533203125	0		
-BSA_min_23	MULTI	7	402.96053	2813.6728	402.96053	NaN	10	6	3		0.672779	0.338489517760081	4.729299	403.248404538997	0.579	11.938	0	71	99		-1	 	0	 	 	 	NaN	39118	0;7214.4462890625;9392.7978515625;10297.53515625;9759.826171875;27383.8520507813;28946.8076171875;0	7563.5849609375;10866.2548828125;13296.76953125	0		
-BSA_min_23	MULTI	4	401.17846	1600.6847	401.17846	NaN	10	5	3		0.68475	-0.0915651416978562	3.492418	401.430576715845	0.577	10.085	0	75	99		-1	 	0	 	 	 	NaN	30330	0;8036.89013671875;15778.0046386719;17976.7177734375;22688.4072265625;12592.4780273438;0	12885.599609375;14685.2685546875;5445.791015625	0		
-BSA_min_23	MULTI	4	402.89628	1607.556	402.89628	NaN	8	3	3		0.556	-0.223475525245249	3.961575	403.396190466784	0.562	6.087	0	87	99		-1	 	0	 	 	 	NaN	22550	0;12301.5610351563;20280.4633789063;19713.1943359375;0	7709.76416015625;7176.4248046875;8681.5791015625	0		
-BSA_min_23	MULTI	7	400.92339	2799.4128	400.92339	NaN	6	4	2		0.412765	0.0850350364034966	1.744244	401.066228643864	0.508	8.652	0	75	99		-1	 	0	 	 	 	NaN	19772	0;10774.8549804688;10669.7880859375;10592.1079101563;0;0	0;6560.57080078125;5920.392578125	0		
-BSA_min_23	MULTI	7	401.06242	2800.386	401.06242	NaN	7	4	2		0.385985	0.0578073576552924	5.106556	401.34933841669	0.554	8.245	0	81	99		-1	 	0	 	 	 	NaN	28917	0;9052.44580078125;11980.0087890625;15758.5649414063;5636.154296875;0	0;5726.7060546875;10177.55078125	0		
-BSA_min_23	MULTI	7	401.32993	2802.2586	401.32993	NaN	5	3	2		0.258602	-0.070436588821849	5.683721	401.473666101688	0.538	6.813	0	81	99		-1	 	0	 	 	 	NaN	24919	0;4266.560546875;13580.1821289063;9680.0693359375;0	0;8870.892578125;4709.28955078125	0		
-BSA_min_23	MULTI	7	402.11888	2807.7812	402.11888	NaN	7	6	2		0.781209	0.449629854355862	2.742903	402.26226660643	0.546	11.938	0	71	99		-1	 	0	 	 	 	NaN	92907	0;7378.68115234375;9870.67456054688;12362.66796875;27580.494140625;28377.28515625;9354.7265625;0	12009.3203125;27580.494140625	0		
-BSA_min_23	MULTI	7	402.92085	2813.395	402.92085	NaN	8	5	2		0.395034	0.0608722040187786	4.864246	403.207267635865	0.552	10.085	0	75	99		-1	 	0	 	 	 	NaN	31005	0;11911.7338867188;8329.57202148438;12590.5791015625;7692.32763671875;7590.80615234375;0	0;5942.84423828125;7692.32763671875	0		
-BSA_min_23	MULTI	7	403.11915	2814.7831	403.11915	NaN	9	6	2		0.783081	0.448280991787215	2.233329	403.405890636412	0.538	11.938	0	71	99		-1	 	0	 	 	 	NaN	33772	0;5547.240234375;13491.7041015625;14026.5288085938;18404.4853515625;6740.32470703125;7501.52880859375;0	0;8876.486328125;9527.9990234375	0		
-BSA_min_23	MULTI	6	401.24975	2401.4549	401.24975	NaN	8	5	2		0.454851	0.310181714510691	4.084511	401.416485569515	0.538	10.085	0	75	99		-1	 	0	 	 	 	NaN	32017	0;12730.2265625;12856.6352539063;18059.9614257813;9549.6162109375;10115.1318359375;0	5608.20263671875;12451.7587890625	0		
-BSA_min_23	MULTI	5	402.00076	2004.9674	402.00076	NaN	9	6	2		0.967394	0.00510852941874873	2.987724	402.202105085556	0.549	11.938	0	71	99		-1	 	0	 	 	 	NaN	30920	0;8339.640625;8783.228515625;16091.4462890625;17413.1408691406;13300.8940429688;7423.05322265625;0	8102.93994140625;10317.5537109375	0		
-BSA_min_23	MULTI	5	402.92094	2009.5683	402.92094	NaN	7	6	2		0.568307	-0.396094388064967	3.449899	403.122250481396	0.563	11.938	0	71	99		-1	 	0	 	 	 	NaN	43028	0;5841.408203125;6185.37866210938;6529.34912109375;18659.19140625;27583.0185546875;0;0	13594.1640625;13988.8544921875	0		
-BSA_min_23	MULTI	5	403.02698	2010.0985	403.02698	NaN	12	8	2		0.098504	0.133858443363806	2.976463	403.228060270544	0.547	15.582	0	61	99		-1	 	0	 	 	 	NaN	36273	0;4848.15478515625;6479.13916015625;12284.7661132813;15645.5927734375;11646.07421875;23252.4360351563;8735.7490234375;5928.67236328125;0	8735.7490234375;15964.4345703125	0		
-BSA_min_23	MULTI	3	402.86177	1205.5635	402.86177	NaN	6	4	2		0.563492	-0.0310669300276913	5.569457	402.861988028917	0.562	8.245	0	81	99		-1	 	0	 	 	 	NaN	20777	0;5665.96142578125;17412.5073242188;14166.2313232422;9378.1455078125;0	9776.4140625;9378.1455078125	0		
-BSA_min_23	MULTI	2	402.19107	802.36759	402.19107	NaN	6	4	2		0.367593	-0.041496332196175	7.16159	402.192753188786	0.547	8.245	0	81	99		-1	 	0	 	 	 	NaN	18440	0;9011.4365234375;16771.8413085938;13178.0732421875;5401.3017578125;0	12396.9423828125;6625.8662109375	0		
-BSA_min_23	MULTI	2	403.1609	804.30724	403.1609	NaN	7	6	2		0.307242	-0.10273887485755	4.842592	403.159823769958	0.557	11.938	0	71	99		-1	 	0	 	 	 	NaN	17595	0;3488.80078125;5058.57861328125;5149.92407226563;9366.63623046875;16003.2814941406;0;0	12698.837890625;4125.36669921875	0		
-BSA_min_23	MULTI	1	401.4224	400.41513	401.4224	NaN	5	4	2		0.415128	0.190936921834407	13.525909	401.426492729968	0.48	8.652	0	75	99		-1	 	0	 	 	 	NaN	12501	0;12131.3984375;10847.1962890625;5505.88012695313;0;0	7007.498046875;5123.900390625	0		
-BSA_min_23	MULTI	1	402.22123	401.21395	402.22123	NaN	12	8	2		0.213954	-0.0106045150496925	2.722259	402.221328891168	0.485	15.582	0	61	99		-1	 	0	 	 	 	NaN	85877	0;7818.44189453125;50336.5234375;18964.7890625;83337.447265625;46349.7744140625;70621.8837890625;75382.7255859375;69995.28125;0	74508.875;12651.0361328125	0		
-BSA_min_23	MULTI	2	671.30281	1340.5911	671.30281	NaN	23	11	3		0.591063	-0.0656088245955289	0.312101	671.302827415245	0.477	22.125	0	43	99		-1	 	0	 	 	 	NaN	185360	0;6208.3349609375;13889.2817382813;26824.0576171875;63842.6630859375;119772.876953125;142543.64453125;171336.408203125;95073.1813964844;71431.78125;64261.19921875;15928.3857421875;0	114559.140625;46502.0234375;14565.6328125	0		
-BSA_min_23	MULTI	3	681.99931	2042.9761	681.99931	NaN	19	10	3		0.976111	-0.00365819893545449	1.308422	682.33372034698	0.438	20.692	0	43	99		-1	 	0	 	 	 	NaN	46604	0;14329.3818359375;19031.8405761719;22111.3134765625;18194.498046875;29480.18359375;32937.4267578125;32460.1762695313;14736.0590820313;9588.93505859375;0;0	16454.376953125;18360.568359375;6774.29443359375	1	85	1
-BSA_min_23	MULTI	1	719.38446	718.37718	719.38446	NaN	24	10	3		0.377179	0.00672520916282338	0.435138	719.384208640922	0.443	19.942	0	49	99		-1	 	0	 	 	 	NaN	306150	0;20136.6884765625;44243.2080078125;107682.56640625;195943.474609375;302500.345703125;262942.01171875;216538.180175781;143034.7890625;103981.69140625;78078.486328125;0	223915.78125;60341.2421875;18243.322265625	0		
-BSA_min_23	MULTI	4	746.0815	2980.2969	746.0815	NaN	10	7	2		0.296901	-0.114035098797558	1.518547	746.332059822568	0.514	14.149	0	61	99		-1	 	0	 	 	 	NaN	76833	0;12502.8056640625;23172.9736328125;18913.9929199219;23919.0571289063;26965.5673828125;21866.44921875;0;0	0;21866.44921875;15830.384765625	0		
-BSA_min_23	MULTI	3	780.07483	2337.2026	780.07483	NaN	5	3	2		0.202649	0.0875359043247954	0.975896	780.074479197676	0.509	7.205	0	75	95		-1	 	0	 	 	 	NaN	50909	0;21881.0830078125;12373.2978515625;12771.9775390625;0	12771.9775390625;12525.220703125	0		
-BSA_min_23	MULTI	2	782.86823	1563.7219	782.86823	NaN	20	10	3		0.721914	-0.0373977738220219	0.691904	782.868353034362	0.459	19.942	0	49	99		-1	 	0	 	 	 	NaN	49668	0;6963.86669921875;6319.74853515625;25598.048828125;30333.59375;57430.474609375;44892.6865234375;35689.693359375;33875.2578125;21107.6284179688;8709.212890625;0	25024.1171875;20124.87109375;12553.91015625	1	79	0
-BSA_min_23	MULTI	4	385.92208	1539.6592	385.92208	NaN	5	4	2		0.659221	-0.0890221179247419	4.819989	385.922431777943	0.562	8.245	0	81	99		-1	 	0	 	 	 	NaN	16679	0;9756.16552734375;12167.0639648438;5856.87719726563;0;0	7023.37158203125;6570.06201171875	0		
-BSA_min_23	MULTI	2	542.31314	1082.6117	542.31314	NaN	7	5	2		0.611725	0.0737234033317691	0.695486	542.312962746134	0.556	10.085	0	75	99		-1	 	0	 	 	 	NaN	55111	0;13280.7685546875;28290.2578125;19233.314453125;29634.5625;9788.0546875;0	29634.5625;12601.22265625	0		
-BSA_min_23	MULTI	3	585.91889	1754.7349	585.91889	NaN	27	14	2		0.734851	-0.112326726837182	1.772765	585.9203897338	0.212	29.803	0	13	95		-1	 	0	 	 	 	NaN	151700	0;25634;52852.154296875;83165.453125;104819.77734375;94229.328125;85360.95703125;67605.142578125;74073.81640625;70187.9453125;54396.115234375;44267.357421875;24930.5283203125;16429.5017089844;5700.82763671875;0	57372.453125;47447.32421875	2	30;74	0;1
-BSA_min_23	MULTI	5	597.06614	2980.2943	597.06614	NaN	37	11	4		0.294342	-0.116593226468922	0.472983	597.467119541279	0.428	22.125	0	43	99		-1	 	0	 	 	 	NaN	102270	0;15203.76953125;39045.6840820313;34831.037109375;47712.4794921875;89038.7504882813;103514.08984375;85300.8828125;70284.630859375;67820.3115234375;46476.4638671875;48678.4375;0	23603.001953125;33373.6171875;34293.359375;21910.3046875	2	89;77	0;1
-BSA_min_23	MULTI	2	768.85448	1535.6944	768.85448	NaN	10	6	2		0.694416	-0.0520035153112985	1.156306	768.854136881374	0.505	11.938	0	71	99		-1	 	0	 	 	 	NaN	35211	0;14192.8012695313;25684.873046875;13888.736328125;26069.779296875;10745.3515625;7933.5927734375;0	15515.0625;11985.1630859375	0		
-BSA_min_23	MULTI	1	385.20738	384.20011	385.20738	NaN	37	15	3		0.200106	-0.0166256802388034	0.277499	385.207329724777	0.586	30.579	0	19	99		-1	 	0	 	 	 	NaN	9575900	0;11657.19921875;15900.880859375;28245.1328125;107153.426757813;302409.859375;779346.665039063;1693412.05078125;2696784.4296875;4119086.625;5272920.84375;7145315.5546875;7046838.5390625;8586651.765625;9072971.5234375;9544540.65625;0	8022851;1417089.75;107593.8984375	1	88	0
-BSA_min_23	MULTI	7	385.75384	2693.2259	385.75384	NaN	5	4	2		0.225935	-0.0529487858329958	3.269312	386.039959009918	0.527	8.652	0	75	99		-1	 	0	 	 	 	NaN	26231	0;7071.59814453125;6099.89965820313;13429.775390625;9196.80078125;0	0;7071.59814453125;9196.80078125	0		
-BSA_min_23	MULTI	4	384.21683	1532.8382	384.21683	NaN	9	8	2		0.838227	0.0931213672590729	3.650752	384.217540427167	0.538	15.582	0	61	99		-1	 	0	 	 	 	NaN	16955	0;4160.2138671875;4054.28234863281;3948.35083007813;5620.66296386719;11245.1120605469;12367.75390625;3952.4072265625;0;0	8085.4716796875;4282.2822265625	0		
-BSA_min_23	MULTI	4	385.97594	1539.8746	385.97594	NaN	6	5	2		0.87465	0.126307612300252	1.636571	385.976417803187	0.538	10.085	0	75	99		-1	 	0	 	 	 	NaN	22326	0;6725.22265625;8226.90576171875;16286.0625;13258.5166015625;0;0	9728.5888671875;6557.4736328125	0		
-BSA_min_23	MULTI	1	383.45736	382.45008	383.45736	NaN	12	9	2		0.450084	0.234156748824319	4.38201	383.459126094026	0.587	17.748	0	55	99		-1	 	0	 	 	 	NaN	58905	0;7922.33447265625;13891.3251953125;21659.68359375;25552.9453125;35771.8671875;41927.4106445313;48927.3310546875;51429.4038085938;44704.2890625;0	44704.2890625;12458.849609375	0		
-BSA_min_23	MULTI	1	385.23203	384.22475	385.23203	NaN	7	4	2		0.224753	0.00800936926827944	6.731498	385.233696134612	0.546	8.245	0	81	99		-1	 	0	 	 	 	NaN	30190	0;13759.9116210938;29297.6162109375;23439.3759765625;15093.2724609375;0	22477.578125;11049.3857421875	0		
-BSA_min_23	MULTI	3	385.24173	1152.7034	385.24173	NaN	4	2	2		0.703375	0.133131265167549	6.602817	385.243392638674	0.563	4.654	0	87	99		-1	 	0	 	 	 	NaN	12273	0;9589.8193359375;10410.1459960938;0	5654.27490234375;4755.87109375	0		
-BSA_min_23	MULTI	2	388.71207	775.40958	388.71207	NaN	7	5	2		0.409585	0.012896161074309	7.840472	388.710022572438	0.529	10.085	0	75	99		-1	 	0	 	 	 	NaN	31411	0;10747.0166015625;11899.037109375;28569.4326171875;16597.3823242188;5571.826171875;0	18849.771484375;11899.037109375	0		
-BSA_min_23	MULTI	3	447.53645	1339.5875	447.53645	NaN	22	9	3		0.587521	-0.0686896803804302	0.403533	447.870732206838	0.433	17.748	0	55	99		-1	 	0	 	 	 	NaN	114780	0;11778.837890625;23139.6025390625;68825.0380859375;106095.923828125;80380.0849609375;63801.41015625;49980.5732421875;27040.2021484375;23807.8686523438;0	44272.734375;47092.73046875;18533.521484375	1	76	0
-BSA_min_23	MULTI	2	457.74565	913.47674	457.74565	NaN	18	12	2		0.476739	0.0165401212738061	1.3063	457.745456355006	0.455	24.286	0	37	99		5	TLGPWGQR	8	Unmodified	_TLGPWGQR_	CON__ENSEMBL:ENSBTAP00000018574	0	61894	0;16990.962890625;11575.6730957031;6160.38330078125;14041.025390625;32656.8212890625;44786.1005859375;54716.6572265625;55345.2353515625;39040.4921875;30755.6171875;35660.9853515625;0;0	43414.70703125;14701.8232421875	1	72	0
-BSA_min_23	MULTI	3	462.60021	1384.7788	462.60021	NaN	18	8	3		0.778798	0.101799265189584	0.724287	462.600287415821	0.502	15.582	0	61	99		-1	 	0	 	 	 	NaN	51167	0;6723.0703125;14707.15234375;44316.7954101563;47067.97265625;31669.6943359375;37648.8586425781;18663.072265625;11027.34765625;0	28348.189453125;13768.9619140625;8396.4033203125	0		
-BSA_min_23	MULTI	2	563.26189	1124.5092	563.26189	NaN	8	6	2		0.509219	-0.048055714837119	1.040289	563.2619173678	0.578	11.938	0	71	99		-1	 	0	 	 	 	NaN	94315	0;6031.1220703125;5922.5673828125;10690.8017578125;26746.5986328125;36209.8569335938;50716.08203125;0	50716.08203125;11821.5556640625	0		
-BSA_min_23	MULTI	2	579.81291	1157.6113	579.81291	NaN	15	10	2		0.611276	0.0387743236285587	0.863667	579.813073677107	0.487	19.942	0	49	99		-1	 	0	 	 	 	NaN	32344	0;9380.30078125;13280.5703125;23935.1513671875;30521.7163085938;32431.77734375;29503.3984375;27435.1259765625;27750.8271484375;9707.3671875;0;0	21680.880859375;13781.01171875	0		
-BSA_min_23	MULTI	2	652.34009	1302.6656	652.34009	NaN	9	6	2		0.665623	0.0263969594609534	2.578009	652.340079597454	0.581	11.938	0	71	99		-1	 	0	 	 	 	NaN	44381	0;10470.1201171875;11684.9853515625;15042.0661621094;13498.8081054688;13972.59375;21285.896484375;0	21285.896484375;7438.31591796875	0		
-BSA_min_23	MULTI	3	717.29132	2148.8521	717.29132	NaN	37	10	4		0.852144	-0.17632784156649	0.491805	717.626027067929	0.408	19.942	0	49	99		-1	 	0	 	 	 	NaN	124890	0;22026.4995117188;58904.9892578125;117250.48828125;111492.02734375;105174.046875;101062.998046875;66927.7299804688;66607.2495117188;57809.5278320313;33717.2485351563;0	41750.08203125;50854.88671875;28232.26953125;14484.546875	0		
-BSA_min_23	MULTI	6	386.12901	2310.7304	386.12901	NaN	4	2	2		0.730426	-0.372510238455106	4.169587	386.296780260594	0.587	4.323	0	91	99		-1	 	0	 	 	 	NaN	19777	0;10667.537109375;11550.3544921875;0	5064.693359375;6485.6611328125	0		
-BSA_min_23	MULTI	1	386.96864	385.96136	386.96864	NaN	14	9	2		0.961364	-0.256178016890544	3.283629	386.967525717104	0.583	17.748	0	55	99		-1	 	0	 	 	 	NaN	51347	0;9129.955078125;11279.533203125;17809.572265625;24097.126953125;38355.6108398438;37379.2407226563;44880.3442382813;50983.2099609375;49828.7939453125;0	43493.59375;7938.8740234375	0		
-BSA_min_23	MULTI	1	400.36713	399.35985	400.36713	NaN	16	10	2		0.359851	0.13614547589458	4.106837	400.36842042818	0.545	19.942	0	49	99		-1	 	0	 	 	 	NaN	78981	0;6156.287109375;12610.8056640625;16443.66796875;23166.564453125;37680.8334960938;69988.2421875;53991.6904296875;70495.287109375;76645.5185546875;74495.6787109375;0	65472.671875;17471.0625	0		
-BSA_min_23	MULTI	7	401.15621	2801.0425	401.15621	NaN	11	7	2		0.042523	-0.285956722831543	2.568664	401.299140344645	0.578	13.784	0	65	99		-1	 	0	 	 	 	NaN	36821	0;7213.38037109375;6924.47998046875;17339.3579101563;16671.8857421875;19927.1689453125;23406.5014648438;4953.66796875;0	0;15112.5751953125;8411.234375	0		
-BSA_min_23	MULTI	1	404.11303	403.10576	404.11303	NaN	16	9	2		0.105755	-0.119673584350551	3.455235	404.112031977039	0.583	17.748	0	55	99		-1	 	0	 	 	 	NaN	73469	0;13006.03125;21763.5092773438;30782.12109375;35696.5864257813;59794.9663085938;50389.5703125;69722.490234375;68714.9921875;61997.74609375;0	61997.74609375;9892.08203125	0		
-BSA_min_23	MULTI	4	404.71106	1614.8151	404.71106	NaN	9	6	3		0.815121	0.0323063764612925	3.112679	404.961654054633	0.563	11.938	0	71	99		-1	 	0	 	 	 	NaN	25241	0;4944.00830078125;6799.6796875;5417;4034.3203125;22700.7153320313;8152.65185546875;0	6979.7197265625;10225.2548828125;5495.74072265625	0		
-BSA_min_23	MULTI	1	407.18875	406.18148	407.18875	NaN	20	11	2		0.181478	-0.0453659359286576	0.331152	407.188715543559	0.584	22.125	0	43	99		-1	 	0	 	 	 	NaN	642000	0;17962.044921875;35146.93359375;84014.6728515625;164382.13671875;213186.013671875;281743.64453125;460699.13671875;382160.26171875;582140.4375;598221.859375;623018.8046875;0	552387.5;82688.296875	0		
-BSA_min_23	MULTI	1	409.16481	408.15753	409.16481	NaN	15	9	2		0.157529	-0.070223412814812	0.447556	409.16476678495	0.587	17.748	0	55	99		-1	 	0	 	 	 	NaN	75670	0;9252.28515625;15363.6455078125;23755.17578125;37450.3813476563;43413.0048828125;48971.9326171875;67545.9711914063;69471.3178710938;73432.4873046875;0	63752.5546875;9679.9326171875	0		
-BSA_min_23	MULTI	2	419.2215	836.42844	419.2215	NaN	11	4	3		0.428439	0.0036820444810246	0.399474	419.22139467134	0.587	8.245	0	81	99		0	DSFDIIK	7	Unmodified	_DSFDIIK_	CON__ENSEMBL:ENSBTAP00000016046	0	768320	0;91299.93359375;241800.627929688;525219.90234375;753920.94140625;0	491425.375;219808.3125;42687.25390625	1	96	0
-BSA_min_23	MULTI	3	419.9065	1256.6977	419.9065	NaN	25	14	2		0.697683	0.0796025383165215	0.568655	419.9067499241	0.328	28.535	0	25	99		-1	 	0	 	 	 	NaN	57554	0;14390.53125;23922.302734375;24165.12890625;45028.5078125;31505.6552734375;47511.521484375;47811.853515625;28987.4296875;45375.6123046875;36277.5;25384.6372070313;30183.11328125;34972.8203125;22686.951171875;0	34948.3046875;22547.62890625	0		
-BSA_min_23	MULTI	1	423.16235	422.15508	423.16235	NaN	28	11	3		0.155077	-0.0791138776144749	1.132056	423.162659610462	0.485	22.125	0	43	99		-1	 	0	 	 	 	NaN	525600	0;16769.75390625;35723.69140625;86788.763671875;151599.174804688;197071.871582031;238849.682617188;523878.314453125;329544.247070313;437148.26953125;456630.658203125;478603.056640625;0	439978.71875;62870.30859375;27823.416015625	0		
-BSA_min_23	MULTI	1	423.15399	422.14671	423.15399	NaN	12	8	2		0.14671	-0.0874772228673919	0.244261	423.15400484274	0.578	15.582	0	61	99		-1	 	0	 	 	 	NaN	56980	0;10974.43359375;11466.44140625;17695.392578125;29738.080078125;42405.1352539063;49777.7587890625;52918.2924804688;55294.6079101563;0	49874.32421875;6935.59619140625	0		
-BSA_min_23	MULTI	1	438.12074	437.11346	438.12074	NaN	14	7	2		0.113465	-0.127607350821677	4.801833	438.11835276147	0.563	13.784	0	65	99		-1	 	0	 	 	 	NaN	49183	0;12628.0346679688;18828.69140625;25120.1083984375;28692.1123046875;39040.9453125;47403.76953125;43417.169921875;0	25243.626953125;22160.142578125	0		
-BSA_min_23	MULTI	2	472.23519	942.45582	472.23519	NaN	13	7	2		0.455821	-0.01770892971183	0.709379	472.235066999616	0.489	13.784	0	65	99		-1	 	0	 	 	 	NaN	56353	0;15947.7456054688;22278.6396484375;49859.734375;37677.9208984375;41839.669921875;29963.1635742188;33816.36328125;0	37885.62109375;14462.3369140625	0		
-BSA_min_23	MULTI	3	512.90492	1535.6929	512.90492	NaN	12	6	2		0.692933	-0.0534854118236581	0.809488	512.90495520209	0.486	11.938	0	71	99		-1	 	0	 	 	 	NaN	39916	0;22260.3510742188;17784.23046875;29117.2568359375;23510.40234375;23676.2021484375;16407.2314453125;0	22463.94140625;14630.0244140625	0		
-BSA_min_23	MULTI	2	536.75864	1071.5027	536.75864	NaN	7	4	2		0.502733	-0.0301585950960543	2.417234	537.260567742501	0.538	8.245	0	81	99		-1	 	0	 	 	 	NaN	20734	0;10059.73046875;17937.884765625;15345.3635253906;6743.6416015625;0	8550.685546875;9387.19921875	0		
-BSA_min_23	MULTI	1	540.2454	539.23812	540.2454	NaN	13	7	2		0.238123	-0.0499263233698457	0.563837	540.24532444786	0.534	13.784	0	65	99		-1	 	0	 	 	 	NaN	54847	0;19292.154296875;33630.6376953125;45071.564453125;42212.9580078125;52232.3701171875;38198.8251953125;16618.658203125;0	42008.1484375;10444.9345703125	0		
-BSA_min_23	MULTI	3	554.21555	1659.6248	554.21555	NaN	5	3	2		0.624827	-0.178600502911195	2.438908	554.215830630924	0.563	6.087	0	87	99		-1	 	0	 	 	 	NaN	29237	0;5868.830078125;20817.412109375;14182.5805664063;0	13458.6064453125;7358.8056640625	0		
-BSA_min_23	MULTI	1	555.36421	554.35693	555.36421	NaN	11	6	2		0.356931	0.0619270308284285	0.459428	555.364097382042	0.545	11.938	0	71	99		-1	 	0	 	 	 	NaN	91371	0;11953.4111328125;56464.546875;61339.1220703125;87016.013671875;81907.529296875;69299.189453125;0	66361.0859375;22625.541015625	0		
-BSA_min_23	MULTI	2	557.78935	1113.5641	557.78935	NaN	6	4	2		0.564147	0.0119075165016511	2.421348	557.790434802409	0.587	8.245	0	81	99		-1	 	0	 	 	 	NaN	16272	0;5989.40087890625;6732.34521484375;11646.4931640625;13934.3364257813;0	7986.845703125;5947.49072265625	0		
-BSA_min_23	MULTI	2	559.76878	1117.523	559.76878	NaN	23	12	2		0.523015	-0.0310453934680481	0.427681	559.768803208661	0.515	24.286	0	37	99		-1	 	0	 	 	 	NaN	67211	0;30329.0063476563;50724.841796875;38037.4775390625;23608.0405273438;19378.5034179688;16818.5107421875;26791.890625;53347.1015625;57557.26953125;40855.7099609375;44248.58984375;6340.10107421875;0	37219.31640625;20337.953125	1	83	0
-BSA_min_23	MULTI	2	582.76086	1163.5072	582.76086	NaN	8	4	2		0.507164	-0.0680497736839243	0.460671	582.760715553871	0.587	8.245	0	81	99		-1	 	0	 	 	 	NaN	108980	0;29966.9487304688;59326.3994140625;83047.06640625;92434.69921875;0	60649.01953125;31785.6796875	1	92	0
-BSA_min_23	MULTI	2	602.33276	1202.651	602.33276	NaN	7	6	2		0.650966	0.0577468625917845	1.790633	602.333558802656	0.548	11.938	0	71	99		-1	 	0	 	 	 	NaN	19364	0;5811.33935546875;6557.4794921875;7303.61962890625;9868.7724609375;15106.3935546875;5047.06591796875;0	9868.7724609375;6315.080078125	0		
-BSA_min_23	MULTI	2	609.30165	1216.5887	609.30165	NaN	5	3	2		0.588746	-0.010884807340517	3.455607	609.801905531048	0.578	6.087	0	87	99		-1	 	0	 	 	 	NaN	18519	0;6848.39208984375;14504.1098632813;15519.5483398438;0	5654.28662109375;10022.16015625	0		
-BSA_min_23	MULTI	2	626.82568	1251.6368	626.82568	NaN	8	5	2		0.636813	0.0210605159502393	0.897662	627.327160354538	0.556	10.085	0	75	99		-1	 	0	 	 	 	NaN	20467	0;7513.7216796875;15837.8994140625;13457.0910644531;10665.5668945313;6652.02783203125;0	7548.9072265625;10244.0595703125	0		
-BSA_min_23	MULTI	3	635.60201	1903.7842	635.60201	NaN	11	4	3		0.784211	-0.131529739430107	0.794887	635.601854227925	0.587	8.245	0	81	99		-1	 	0	 	 	 	NaN	109400	0;11539.9194335938;49907.1435546875;64455.1904296875;94715.8671875;0	41372.8828125;37360.796875;15982.1875	1	93	0
-BSA_min_23	MULTI	2	722.29286	1442.5712	722.29286	NaN	11	4	3		0.571176	-0.132406498940327	0.529807	722.794557009268	0.587	8.245	0	81	99		-1	 	0	 	 	 	NaN	88555	0;19382.1572265625;29263.3842773438;56304.751953125;72047.59765625;0	31798.40625;40249.19140625;9051.69140625	2	94;97	0;0
-BSA_min_23	MULTI	2	731.29826	1460.582	731.29826	NaN	9	5	2		0.581963	-0.129905034647663	1.015729	731.799523381077	0.526	10.085	0	75	99		-1	 	0	 	 	 	NaN	29169	0;10700.2763671875;21935.4814453125;17981.1000976563;13056.220703125;17802.30078125;0	11073.208984375;11301.125	1	90	0
-BSA_min_23	MULTI	2	772.32634	1542.6381	772.32634	NaN	16	12	3		0.638121	-0.111492432172099	0.832583	772.326445295162	0.587	24.286	0	37	99		-1	 	0	 	 	 	NaN	48065	0;8672.376953125;7721.82470703125;8208.14233398438;8694.4599609375;12981.9775390625;10428.1220703125;10370.2294921875;9308.8408203125;12825.458984375;17852.220703125;30189.3129882813;24380.708984375;0	19063.345703125;15360.51953125;9020.189453125	0		
-BSA_min_23	MULTI	3	776.67069	2326.9902	776.67069	NaN	7	3	3		0.990245	-0.120170237694765	2.142655	777.004331643663	0.571	6.087	0	87	99		-1	 	0	 	 	 	NaN	37194	0;6977.5546875;29906.751953125;25277;0	9063.5791015625;14645.7783203125;12678.326171875	0		
-BSA_min_23	MULTI	1	837.43637	836.42909	837.43637	NaN	7	4	2		0.429093	0.0043357496634826	1.321128	837.436103089852	0.587	8.245	0	81	99		-1	 	0	 	 	 	NaN	73009	0;8795.1123046875;28166.4892578125;33590.7690429688;65961.154296875;0	53311.69140625;12649.462890625	0		
-BSA_min_23	MULTI	2	882.84611	1763.6777	882.84611	NaN	12	7	3		0.677665	-0.17362702288824	0.483171	882.846072087715	0.563	13.784	0	65	99		-1	 	0	 	 	 	NaN	1179300	0;10685.890625;57645.44140625;185231.5625;292455.5625;750275.78125;1040647.75;871335.640625;0	494015.65625;379948.71875;166683.375	1	100	0
-BSA_min_23	MULTI	2	886.81224	1771.6099	886.81224	NaN	8	5	2		0.609919	-0.245021216350096	1.522474	887.31412154531	0.576	10.085	0	75	99		-1	 	0	 	 	 	NaN	29012	0;5249.1533203125;6298.3564453125;13226.2900390625;17856.4375;20045.5546875;0	8890.65234375;11784.896484375	0		
-BSA_min_23	MULTI	1	899.44874	898.44146	899.44874	NaN	10	6	2		0.441463	-0.0118196933137824	0.473138	899.44868329937	0.563	11.938	0	71	99		-1	 	0	 	 	 	NaN	93356	0;10259.021484375;11104.9755859375;38988.1611328125;51494.2109375;83477.83203125;72926.943359375;0	61125.3359375;22352.49609375	0		
-BSA_min_23	MULTI	2	973.90466	1945.7948	973.90466	NaN	7	4	2		0.794757	-0.14030840214582	1.357784	973.904958275679	0.587	8.245	0	81	99		-1	 	0	 	 	 	NaN	67032	0;22343.408203125;30602.4375;39709.193359375;30783.283203125;0	30783.283203125;12774.3359375	0		
-BSA_min_23	MULTI	1	1012.4647	1011.4574	1012.4647	NaN	10	6	2		0.457396	-0.0478741148867812	0.66179	1012.46465963589	0.58	11.938	0	71	99		-1	 	0	 	 	 	NaN	45315	0;6566.83447265625;5892.9794921875;22179.6865234375;26302.4379882813;35693.482421875;39795.4755859375;0	31461.541015625;12683.193359375	0		
-BSA_min_23	MULTI	2	1044.9323	2087.8501	1044.9323	NaN	6	4	2		0.850137	-0.150273671131799	1.779455	1045.43259299012	0.587	8.245	0	81	99		-1	 	0	 	 	 	NaN	22292	0;6181.01806640625;6017.2158203125;11961.13671875;13880.3842773438;0	6740.865234375;7139.51904296875	0		
-BSA_min_23	MULTI	2	1074.9485	2147.8825	1074.9485	NaN	7	5	2		0.882505	-0.145520540587768	1.74705	1074.94713499826	0.56	10.085	0	75	99		-1	 	0	 	 	 	NaN	47904	0;7807.28466796875;5717.341796875;13474.2958984375;16493.6396484375;19157.744140625;0	13474.2958984375;10645.7109375	0		
-BSA_min_23	MULTI	1	1164.5167	1163.5094	1164.5167	NaN	6	4	2		0.50944	-0.065774688654983	0.883473	1164.51651446826	0.569	8.245	0	81	99		-1	 	0	 	 	 	NaN	30247	0;5882.703125;19118.6171875;25656.2758789063;16791.0786132813;0	19902.078125;6989.12060546875	0		
-BSA_min_23	MULTI	1	1177.4707	1176.4634	1177.4707	NaN	18	7	3		0.463421	-0.117752640125445	0.401898	1177.47052434449	0.565	13.784	0	65	99		-1	 	0	 	 	 	NaN	191160	0;13462.1650390625;32176.0517578125;66198.634765625;127578.37890625;153005.427734375;176360.41015625;148912.65625;0	107823.8203125;52374.53515625;18917.345703125	1	64	0
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/single/combined/txt/evidence.txt
--- a/test-data/single/combined/txt/evidence.txt	Thu Aug 15 08:09:00 2019 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,7 +0,0 @@
-Sequence	Length	Modifications	Modified sequence	Oxidation (M) Probabilities	Oxidation (M) Score Diffs	Oxidation (M)	Missed cleavages	Proteins	Leading proteins	Leading razor protein	Type	Raw file	Experiment	MS/MS m/z	Charge	m/z	Mass	Resolution	Uncalibrated - Calibrated m/z [ppm]	Uncalibrated - Calibrated m/z [Da]	Mass error [ppm]	Mass error [Da]	Uncalibrated mass error [ppm]	Uncalibrated mass error [Da]	Max intensity m/z 0	Retention time	Retention length	Calibrated retention time	Calibrated retention time start	Calibrated retention time finish	Retention time calibration	Match time difference	Match m/z difference	Match q-value	Match score	Number of data points	Number of scans	Number of isotopic peaks	PIF	Fraction of total spectrum	Base peak fraction	PEP	MS/MS count	MS/MS scan number	Score	Delta score	Combinatorics	Intensity	Reverse	Potential contaminant	id	Protein group IDs	Peptide ID	Mod. peptide ID	MS/MS IDs	Best MS/MS	AIF MS/MS IDs	Oxidation (M) site IDs
-DSFDIIK	7	Unmodified	_DSFDIIK_			0	0	CON__ENSEMBL:ENSBTAP00000016046	CON__ENSEMBL:ENSBTAP00000016046	CON__ENSEMBL:ENSBTAP00000016046	MULTI-MSMS	BSA_min_23	BSA_min_23.mzXML	419.221313476563	2	419.221268	836.427984	NaN	0	0	0.54276	0.00022754	0.54276	0.00022754	419.22139467134	0.58669	0.13742	0.58669	0.46121	0.59862	0					11	4	3	0	0	0	0.010549	1	96	0	0	1	768320		+	0	2	0	0	0	0		
-LLESEECR	8	Unmodified	_LLESEECR_			0	0	CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5	CON__Q14CN4-1	CON__Q14CN4-1	MSMS	BSA_min_23	BSA_min_23.mzXML	518.238220214844	2	518.242406	1034.47026	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	0.50957	1	0.50957	0.0095717	1.0096	0								0	0	0	0.0075205	1	86	1.6313	1.6313	1			+	1	5	1	1	1	1		
-LVTDLTK	7	Unmodified	_LVTDLTK_			0	0	CON__P02769;bsa;CON__P02768-1	CON__P02769	CON__P02769	MSMS	BSA_min_23	BSA_min_23.mzXML	395.239288330078	2	395.239461	788.46437	NaN	NaN	NaN	NaN	NaN	NaN	NaN	NaN	0.010013	1	0.010013	-0.48999	0.51001	0								0	0	0	0.0046553	1	2	0	0	1			+	2	0	2	2	2	2		
-QLELEKQLEK	10	Unmodified	_QLELEKQLEK_			0	1	CON__ENSEMBL:ENSBTAP00000001528	CON__ENSEMBL:ENSBTAP00000001528	CON__ENSEMBL:ENSBTAP00000001528	MULTI-SECPEP	BSA_min_23	BSA_min_23.mzXML	419.221313476563	3	419.906482	1256.69762	NaN	0	0	0.052788	2.2166E-05	0.052788	2.2166E-05	419.9067499241	0.32847	0.47559	0.32847	0.12303	0.59862	0					25	14	2	0	0	0	0.011549	1	96	0	0	1	57554		+	3	1	3	3	3	3		
-SLSAIRER	8	Unmodified	_SLSAIRER_			0	1	CON__Q03247	CON__Q03247	CON__Q03247	MULTI-SECPEP	BSA_min_23	BSA_min_23.mzXML	465.766693115234	2	466.269616	930.524678	NaN	0	0	-3.0904	-0.0014409	-3.0904	-0.0014409	466.26850803291	0.10674	0.17216	0.10674	-0.014552	0.15761	0					6	4	2	0	0	0	0.011549	1	17	0	0	1	33499		+	4	4	4	4	4	4		
-TLGPWGQR	8	Unmodified	_TLGPWGQR_			0	0	CON__ENSEMBL:ENSBTAP00000018574	CON__ENSEMBL:ENSBTAP00000018574	CON__ENSEMBL:ENSBTAP00000018574	MULTI-MSMS	BSA_min_23	BSA_min_23.mzXML	457.746032714844	2	457.745776	913.477	NaN	0	0	-0.28456	-0.00013026	-0.28456	-0.00013026	457.745456355006	0.4547	0.40477	0.4547	0.19386	0.59862	-5.5511E-17					18	12	2	0	0	0	0.01108	1	72	0	0	1	61894		+	5	3	5	5	5	5		
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/single/combined/txt/modificationSpecificPeptides.txt
--- a/test-data/single/combined/txt/modificationSpecificPeptides.txt	Thu Aug 15 08:09:00 2019 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,7 +0,0 @@
-Sequence	Modifications	Mass	Mass Fractional Part	Protein Groups	Proteins	Unique (Groups)	Unique (Proteins)	Oxidation (M)	Missed cleavages	Experiment BSA_min_23.mzXML	Retention time	Calibrated retention time	Charges	PEP	MS/MS scan number	Raw file	Score	Delta score	Intensity	Intensity BSA_min_23.mzXML	Reverse	Potential contaminant	id	Protein group IDs	Peptide ID	Evidence IDs	MS/MS IDs	Best MS/MS	Oxidation (M) site IDs	MS/MS Count
-DSFDIIK	Unmodified	836.42798	0.42798405	2	CON__ENSEMBL:ENSBTAP00000016046	yes	yes	0	0	1	0.58669	0.58669	2	0.010549	96	BSA_min_23	0	0	768320	768320		+	0	2	0	0	0	0		1
-LLESEECR	Unmodified	1034.4703	0.47025958	5	CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5	yes	no	0	0	1	0.50957	0.50957	2	0.0075205	86	BSA_min_23	1.6313	1.6313	0	0		+	1	5	1	1	1	1		1
-LVTDLTK	Unmodified	788.46437	0.46436956	0	CON__P02769;bsa;CON__P02768-1	yes	no	0	0	1	0.010013	0.010013	2	0.0046553	2	BSA_min_23	0	0	0	0		+	2	0	2	2	2	2		1
-QLELEKQLEK	Unmodified	1256.6976	0.69761697	1	CON__ENSEMBL:ENSBTAP00000001528	yes	yes	0	1	1	0.32847	0.32847	3	0.011549	96	BSA_min_23	0	0	57554	57554		+	3	1	3	3	3	3		0
-SLSAIRER	Unmodified	930.52468	0.52467841	4	CON__Q03247	yes	yes	0	1	1	0.10674	0.10674	2	0.011549	17	BSA_min_23	0	0	33499	33499		+	4	4	4	4	4	4		0
-TLGPWGQR	Unmodified	913.477	0.47699993	3	CON__ENSEMBL:ENSBTAP00000018574	yes	yes	0	0	1	0.4547	0.4547	2	0.01108	72	BSA_min_23	0	0	61894	61894		+	5	3	5	5	5	5		1
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/single/combined/txt/msms.txt
--- a/test-data/single/combined/txt/msms.txt	Thu Aug 15 08:09:00 2019 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,7 +0,0 @@
-Raw file	Scan number	Scan index	Sequence	Length	Missed cleavages	Modifications	Modified sequence	Oxidation (M) Probabilities	Oxidation (M) Score Diffs	Oxidation (M)	Proteins	Charge	Fragmentation	Mass analyzer	Type	Scan event number	Isotope index	m/z	Mass	Mass error [ppm]	Mass error [Da]	Simple mass error [ppm]	Retention time	PEP	Score	Delta score	Score diff	Localization prob	Combinatorics	PIF	Fraction of total spectrum	Base peak fraction	Precursor Full ScanNumber	Precursor Intensity	Precursor Apex Fraction	Precursor Apex Offset	Precursor Apex Offset Time	Matches	Intensities	Mass Deviations [Da]	Mass Deviations [ppm]	Masses	Number of Matches	Intensity coverage	Peak coverage	Neutral loss level	ETD identification type	Reverse	All scores	All sequences	All modified sequences	id	Protein group IDs	Peptide ID	Mod. peptide ID	Evidence ID	Oxidation (M) site IDs
-BSA_min_23	96	77	DSFDIIK	7	0	Unmodified	_DSFDIIK_			0	CON__ENSEMBL:ENSBTAP00000016046	2	CID	FTMS	MULTI-MSMS	1	0	419.22127	836.42798	0.54276	0.00022754	NaN	0.57043	0.010549	0	0	NaN	NaN	1	0	0	0	95	346270.625	0.704625040984097	-1	0.0243583333333334						0	0	0	None	Unknown		0	DSFDIIK	_DSFDIIK_	0	2	0	0	0	
-BSA_min_23	86	70	LLESEECR	8	0	Unmodified	_LLESEECR_			0	CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5	2	CID	FTMS	MSMS	5		518.24241	1034.4703	NaN	NaN	NaN	0.50957	0.0075205	1.6313	1.6313	NaN	NaN	1	0	0	0	81	10271.2001953125	1	0	0	y6	11.7	0.0135096433999706	16.6930827476743	809.2958984375	1	0.00309955136349784	0.00847457627118644	None	Unknown		1.63126590808724;0;0	LLESEECR;LGSDMEDLR;QLNQEMEK	_LLESEECR_;_LGSDMEDLR_;_QLNQEM(ox)EK_	1	5	1	1	1	
-BSA_min_23	2	0	LVTDLTK	7	0	Unmodified	_LVTDLTK_			0	CON__P02769;bsa;CON__P02768-1	2	CID	FTMS	MSMS	1		395.23946	788.46437	NaN	NaN	NaN	0.010013	0.0046553	0	0	NaN	NaN	1	0	0	0	-1	NaN	NaN	0	NaN						0	0	0	None	Unknown		0;0	LVTDLTK;DSLLTLK	_LVTDLTK_;_DSLLTLK_	2	0	2	2	2	
-BSA_min_23	96	77	QLELEKQLEK	10	1	Unmodified	_QLELEKQLEK_			0	CON__ENSEMBL:ENSBTAP00000001528	3	CID	FTMS	MULTI-SECPEP	1	-2	419.90648	1256.6976	0.052788	2.2166E-05	NaN	0.57043	0.011549	0	0	NaN	NaN	1	0	0	0	95	346270.625	0.704625040984097	-1	0.0243583333333334						0	0	0	None	Unknown		0	QLELEKQLEK	_QLELEKQLEK_	3	1	3	3	3	
-BSA_min_23	17	13	SLSAIRER	8	1	Unmodified	_SLSAIRER_			0	CON__Q03247	2	CID	FTMS	MULTI-SECPEP	4	-1	466.26962	930.52468	-3.0904	-0.0014409	NaN	0.096553	0.011549	0	0	NaN	NaN	1	0	0	0	-1	NaN	NaN	0	NaN						0	0	0	None	Unknown		0	SLSAIRER	_SLSAIRER_	4	4	4	4	4	
-BSA_min_23	72	58	TLGPWGQR	8	0	Unmodified	_TLGPWGQR_			0	CON__ENSEMBL:ENSBTAP00000018574	2	CID	FTMS	MULTI-MSMS	1	0	457.74578	913.477	-0.28456	-0.00013026	NaN	0.42593	0.01108	0	0	NaN	NaN	1	0	0	0	71	32936.3203125	0.758644306612328	-2	0.0615566666666666						0	0	0	None	Unknown		0;0	TLGPWGQR;IHVFNER	_TLGPWGQR_;_IHVFNER_	5	3	5	5	5	
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/single/combined/txt/msmsScans.txt
--- a/test-data/single/combined/txt/msmsScans.txt	Thu Aug 15 08:09:00 2019 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,82 +0,0 @@
-Raw file	Scan number	Retention time	Ion injection time	Total ion current	Collision energy	Summations	Base peak intensity	Elapsed time	Identified	MS/MS IDs	Sequence	Length	Filtered peaks	m/z	Mass	Charge	Type	Fragmentation	Mass analyzer	Parent intensity fraction	Fraction of total spectrum	Base peak fraction	Precursor full scan number	Precursor intensity	Precursor apex fraction	Precursor apex offset	Precursor apex offset time	Scan event number	Modifications	Modified sequence	Proteins	Score	Experiment	Intens Comp Factor	CTCD Comp	RawOvFtT	AGC Fill	Scan index	MS scan index	MS scan number
-BSA_min_23	2	0.010013	-1	35863	35	0	0	-1	+	2	LVTDLTK	7	103	395.239288330078	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	1	Unmodified	_LVTDLTK_	bsa;CON__P02768-1;CON__P02769	0	BSA_min_23.mzXML	NaN	NaN	NaN	0	0	0	1
-BSA_min_23	3	0.01458	-1	30585	35	0	0	-1	-	-1	 	0	164	552.918823242188	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	1	0	1
-BSA_min_23	4	0.020265	-1	11886	35	0	0	-1	-	-1	 	0	126	676.387463660038	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	2	0	1
-BSA_min_23	5	0.025633	-1	12813	35	0	0	-1	-	-1	 	0	146	751.810668945313	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	4	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	3	0	1
-BSA_min_23	6	0.031253	-1	10791	35	0	0	-1	-	-1	 	0	124	670.800842285156	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	5	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	4	0	1
-BSA_min_23	8	0.044372	-1	7950.3	35	0	0	-1	-	-1	 	0	111	456.581360511828	2733.44450427137	6	MULTI	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	5	1	7
-BSA_min_23	9	0.049315	-1	13730	35	0	0	-1	-	-1	 	0	120	562.257629394531	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	6	1	7
-BSA_min_23	10	0.05446	-1	8774.7	35	0	0	-1	-	-1	 	0	121	589.203410887949	588.196134421349	1	MULTI	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	7	1	7
-BSA_min_23	11	0.06018	-1	4436.2	35	0	0	-1	-	-1	 	0	115	828.876770019531	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	4	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	8	1	7
-BSA_min_23	12	0.065908	-1	3625.8	35	0	0	-1	-	-1	 	0	112	639.798400878906	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	5	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	9	1	7
-BSA_min_23	14	0.078957	-1	13236	35	0	0	-1	-	-1	 	0	137	883.333059829652	1764.6515667261	2	MULTI	CID	FTMS	0	0	0	13	171569.53125	0.0583552615411773	-4	NaN	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	10	2	13
-BSA_min_23	15	0.084805	-1	6304.6	35	0	0	-1	-	-1	 	0	120	602.8994140625	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	11	2	13
-BSA_min_23	16	0.090573	-1	12119	35	0	0	-1	-	-1	 	0	135	648.602708784548	1942.78629695384	3	MULTI	CID	FTMS	0	0	0	13	52074.7734375	0.102435594507697	-16	NaN	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	12	2	13
-BSA_min_23	17	0.096553	-1	5932.3	35	0	0	-1	-	-1	 	0	110	465.766693115234	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	4	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	13	2	13
-BSA_min_23	18	0.10154	-1	4161.5	35	0	0	-1	-	-1	 	0	108	605.758117675781	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	5	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	14	2	13
-BSA_min_23	20	0.11439	-1	65173	35	0	0	-1	-	-1	 	0	102	387.700285234344	NaN	0	PEAK	CID	FTMS	0	0	0	19	5176.81640625	0.231645826498235	-7	NaN	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	15	3	19
-BSA_min_23	21	0.11842	-1	33705	35	0	0	-1	-	-1	 	0	123	430.226482307928	NaN	0	PEAK	CID	FTMS	0	0	0	19	7040.359375	0.343536017509867	-2	0.0701033333333334	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	16	3	19
-BSA_min_23	22	0.1234	-1	9502.6	35	0	0	-1	-	-1	 	0	111	455.744353147131	NaN	0	PEAK	CID	FTMS	0	0	0	19	112493.5	0.827447086298523	-1	0.0355433333333333	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	17	3	19
-BSA_min_23	23	0.12833	-1	2553.5	35	0	0	-1	-	-1	 	0	105	664.964606092136	1991.87198887661	3	MULTI	CID	FTMS	0	0	0	19	58531.14453125	1	0	0	4	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	18	3	19
-BSA_min_23	24	0.13435	-1	5665.1	35	0	0	-1	-	-1	 	0	93	441.716446446474	881.418339959749	2	MULTI	CID	FTMS	0	0	0	19	40583.5390625	0.581327680935085	-1	0.0355433333333333	5	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	19	3	19
-BSA_min_23	26	0.14696	-1	4965.5	35	0	0	-1	-	-1	 	0	111	972.401410273474	1942.78826761375	2	MULTI	CID	FTMS	0	0	0	25	65218.546875	0.578387033725099	-12	NaN	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	20	4	25
-BSA_min_23	27	0.15284	-1	3538.8	35	0	0	-1	-	-1	 	0	124	903.846651631555	1805.67875032991	2	MULTI	CID	FTMS	0	0	0	25	39216.41796875	1	0	0	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	21	4	25
-BSA_min_23	28	0.15869	-1	612.01	35	0	0	-1	-	-1	 	0	40	931.328202121547	1860.64185130989	2	MULTI	CID	FTMS	0	0	0	25	32505.169921875	0.556008699617638	-3	0.102683333333333	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	22	4	25
-BSA_min_23	29	0.16448	-1	3712.5	35	0	0	-1	-	-1	 	0	134	730.799031095722	1459.58350925824	2	MULTI	CID	FTMS	0	0	0	25	39553.00390625	1	0	0	4	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	23	4	25
-BSA_min_23	30	0.17003	-1	5047.2	35	0	0	-1	-	-1	 	0	108	585.918893568188	1754.73485130476	3	MULTI	CID	FTMS	0	0	0	25	27986.6171875	0.487805831250134	-2	0.0681233333333334	5	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	24	4	25
-BSA_min_23	32	0.18323	-1	3672.2	35	0	0	-1	-	-1	 	0	95	597.209739443197	NaN	0	PEAK	CID	FTMS	0	0	0	31	45858.6953125	0.706827549584025	-2	0.0691516666666667	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	25	5	31
-BSA_min_23	33	0.18901	-1	10554	35	0	0	-1	-	-1	 	0	112	487.53462335476	1459.58204066448	3	MULTI	CID	FTMS	0	0	0	31	17205.21875	0.534308072152896	2	-0.07205	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	26	5	31
-BSA_min_23	34	0.19399	-1	794.02	35	0	0	-1	-	-1	 	0	53	931.328202121547	1860.64185130989	2	MULTI	CID	FTMS	0	0	0	31	40352.77734375	0.775544041279623	-1	0.0365716666666666	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	27	5	31
-BSA_min_23	35	0.19977	-1	6966.5	35	0	0	-1	-	-1	 	0	119	622.281005859375	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	4	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	28	5	31
-BSA_min_23	36	0.20575	-1	2000.1	35	0	0	-1	-	-1	 	0	122	843.968139648438	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	5	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	29	5	31
-BSA_min_23	38	0.21916	-1	3920.8	35	0	0	-1	-	-1	 	0	120	703.140521860943	4212.79947236606	6	MULTI	CID	FTMS	0	0	0	37	38276.57421875	1	0	0	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	30	6	37
-BSA_min_23	39	0.22523	-1	7753.4	35	0	0	-1	-	-1	 	0	121	542.752915907862	NaN	0	PEAK	CID	FTMS	0	0	0	37	7960.71728515625	0.810623529138009	-1	0.0359233333333333	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	31	6	37
-BSA_min_23	40	0.23041	-1	2121.2	35	0	0	-1	-	-1	 	0	108	686.596525404719	2056.76774681436	3	MULTI	CID	FTMS	0	0	0	37	47932.00390625	1	0	0	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	32	6	37
-BSA_min_23	41	0.23643	-1	2589.1	35	0	0	-1	-	-1	 	0	110	592.559742773291	1774.65739892007	3	MULTI	CID	FTMS	0	0	0	37	51832.45703125	1	0	0	4	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	33	6	37
-BSA_min_23	42	0.24218	-1	6786.4	35	0	0	-1	-	-1	 	0	114	558.888078141406	1673.64240502442	3	MULTI	CID	FTMS	0	0	0	37	50127.9140625	0.805054408903464	-3	0.105075	5	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	34	6	37
-BSA_min_23	44	0.25533	-1	3829.3	35	0	0	-1	-	-1	 	0	126	808.753845214844	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	35	7	43
-BSA_min_23	45	0.26131	-1	2056.8	35	0	0	-1	-	-1	 	0	95	686.596525404719	2056.76774681436	3	MULTI	CID	FTMS	0	0	0	43	42148.32421875	1	0	0	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	36	7	43
-BSA_min_23	46	0.26732	-1	4217.2	35	0	0	-1	-	-1	 	0	115	703.140521860943	4212.79947236606	6	MULTI	CID	FTMS	0	0	0	43	34525.390625	0.901997927706068	1	-0.0366366666666667	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	37	7	43
-BSA_min_23	47	0.27336	-1	4417.5	35	0	0	-1	-	-1	 	0	112	674.296931013294	NaN	0	PEAK	CID	FTMS	0	0	0	43	36233.25	0.312245808501738	-5	0.176745	4	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	38	7	43
-BSA_min_23	48	0.27939	-1	4893.8	35	0	0	-1	-	-1	 	0	114	525.286926269531	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	5	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	39	7	43
-BSA_min_23	50	0.29214	-1	2694.3	35	0	0	-1	-	-1	 	0	118	844.169032154843	4215.80877844122	5	MULTI	CID	FTMS	0	0	0	49	18802.0625	1	0	0	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	40	8	49
-BSA_min_23	51	0.29815	-1	4123.5	35	0	0	-1	-	-1	 	0	123	674.296931013294	NaN	0	PEAK	CID	FTMS	0	0	0	49	37438.125	0.322629010906119	-4	0.145258333333333	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	41	8	49
-BSA_min_23	52	0.30417	-1	2801.3	35	0	0	-1	-	-1	 	0	103	629.356568937177	1256.69858494115	2	MULTI	CID	FTMS	0	0	0	49	47581.3515625	1	0	0	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	42	8	49
-BSA_min_23	53	0.30942	-1	3120.2	35	0	0	-1	-	-1	 	0	121	747.856093035124	1493.69763313705	2	MULTI	CID	FTMS	0	0	0	49	27482.5703125	1	0	0	4	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	43	8	49
-BSA_min_23	54	0.31497	-1	1089.3	35	0	0	-1	-	-1	 	0	87	1177.44225204557	3529.3049267369	3	MULTI	CID	FTMS	0	0	0	49	22208.09765625	0.573548719035153	2	-0.0722016666666667	5	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	44	8	49
-BSA_min_23	56	0.32853	-1	4609.2	35	0	0	-1	-	-1	 	0	134	808.5537109375	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	45	9	55
-BSA_min_23	57	0.33454	-1	4781	35	0	0	-1	-	-1	 	0	114	491.773453701772	981.532354470344	2	MULTI	CID	FTMS	0	0	0	55	66131.3984375	1	0	0	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	46	9	55
-BSA_min_23	58	0.33958	-1	3940	35	0	0	-1	-	-1	 	0	120	674.296931013294	NaN	0	PEAK	CID	FTMS	0	0	0	55	46957.76171875	0.404665998035039	-3	0.10925	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	47	9	55
-BSA_min_23	59	0.34561	-1	5227	35	0	0	-1	-	-1	 	0	94	517.743469238281	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	4	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	48	9	55
-BSA_min_23	60	0.35072	-1	3062.2	35	0	0	-1	-	-1	 	0	101	664.964606092136	1991.87198887661	3	MULTI	CID	FTMS	0	0	0	55	33396.828125	0.665850940487736	5	-0.158593333333333	5	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	49	9	55
-BSA_min_23	62	0.36446	-1	6953.5	35	0	0	-1	-	-1	 	0	98	460.254338656322	459.247062189722	1	MULTI	CID	FTMS	0	0	0	61	110063.5625	0.350472556233784	3	-0.0859683333333334	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	50	10	61
-BSA_min_23	63	0.36944	-1	3605.8	35	0	0	-1	-	-1	 	0	128	700.332580566406	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	51	10	61
-BSA_min_23	64	0.37486	-1	1611.8	35	0	0	-1	-	-1	 	0	101	1177.47069699992	1176.46342053332	1	MULTI	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	52	10	61
-BSA_min_23	66	0.3885	-1	5670	35	0	0	-1	-	-1	 	0	100	622.5341796875	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	53	11	65
-BSA_min_23	67	0.39452	-1	3085.9	35	0	0	-1	-	-1	 	0	115	594.556274414063	NaN	0	PEAK	CID	FTMS	0	0	0	-1	NaN	NaN	0	NaN	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	54	11	65
-BSA_min_23	68	0.40026	-1	1992.2	35	0	0	-1	-	-1	 	0	96	686.596525404719	2056.76774681436	3	MULTI	CID	FTMS	0	0	0	65	21625.0703125	0.451161406787757	5	-0.157466666666667	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	55	11	65
-BSA_min_23	69	0.40626	-1	1117.7	35	0	0	-1	-	-1	 	0	76	1173.07641144645	2344.1382699597	2	MULTI	CID	FTMS	0	0	0	65	24950.53125	1	0	0	4	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	56	11	65
-BSA_min_23	70	0.41227	-1	2287.8	35	0	0	-1	-	-1	 	0	138	1177.58276971623	2353.15098649927	2	MULTI	CID	FTMS	0	0	0	65	8500.6943359375	0.643644763729794	1	-0.0373533333333333	5	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	57	11	65
-BSA_min_23	72	0.42593	-1	5725.3	35	0	0	-1	+	5	TLGPWGQR	8	96	457.745646177304	913.476739421408	2	MULTI	CID	FTMS	0	0	0	71	32936.3203125	0.758644306612328	-2	0.0615566666666666	1	Unmodified	_TLGPWGQR_	CON__ENSEMBL:ENSBTAP00000018574	0	BSA_min_23.mzXML	NaN	NaN	NaN	0	58	12	71
-BSA_min_23	73	0.43088	-1	1163.3	35	0	0	-1	-	-1	 	0	65	1010.44003116945	4037.73101881139	4	MULTI	CID	FTMS	0	0	0	71	15265.9873046875	0.567392976805677	-2	0.0615566666666666	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	59	12	71
-BSA_min_23	74	0.43685	-1	4314.7	35	0	0	-1	-	-1	 	0	113	585.918893568188	1754.73485130476	3	MULTI	CID	FTMS	0	0	0	71	21487.865234375	0.45287833588482	6	-0.168346666666667	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	60	12	71
-BSA_min_23	76	0.45047	-1	8334.6	35	0	0	-1	-	-1	 	0	119	447.536449992962	1339.58752057909	3	MULTI	CID	FTMS	0	0	0	75	40469.671875	0.9140992180924	1	-0.0369099999999999	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	61	13	75
-BSA_min_23	77	0.45584	-1	4436.9	35	0	0	-1	-	-1	 	0	95	597.066144900786	2980.29434217093	5	MULTI	CID	FTMS	0	0	0	75	33103.19921875	0.991897253233573	1	-0.0369099999999999	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	62	13	75
-BSA_min_23	78	0.46188	-1	2747.5	35	0	0	-1	-	-1	 	0	106	664.964606092136	1991.87198887661	3	MULTI	CID	FTMS	0	0	0	75	18094.236328125	0.676187560804335	3	-0.0957016666666666	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	63	13	75
-BSA_min_23	79	0.46792	-1	3792.1	35	0	0	-1	-	-1	 	0	127	782.86823361998	1563.72191430676	2	MULTI	CID	FTMS	0	0	0	75	24751.693359375	0.989113548898297	-1	0.0244116666666667	4	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	64	13	75
-BSA_min_23	80	0.4736	-1	1227.2	35	0	0	-1	-	-1	 	0	96	1173.07641144645	2344.1382699597	2	MULTI	CID	FTMS	0	0	0	75	23081.546875	1	0	0	5	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	65	13	75
-BSA_min_23	82	0.48722	-1	6556.1	35	0	0	-1	-	-1	 	0	116	629.356568937177	1256.69858494115	2	MULTI	CID	FTMS	0	0	0	81	28788.931640625	1	0	0	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	66	14	81
-BSA_min_23	83	0.4925	-1	6615.3	35	0	0	-1	-	-1	 	0	116	559.768784063361	1117.52301519352	2	MULTI	CID	FTMS	0	0	0	81	35334.84765625	0.949368528711517	-1	0.0369099999999999	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	67	14	81
-BSA_min_23	84	0.49762	-1	6183.7	35	0	0	-1	-	-1	 	0	125	972.401410273474	1942.78826761375	2	MULTI	CID	FTMS	0	0	0	81	19756.91796875	0.347354270628424	7	NaN	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	68	14	81
-BSA_min_23	85	0.50353	-1	3559.8	35	0	0	-1	-	-1	 	0	116	681.999313403946	2042.97611081204	3	MULTI	CID	FTMS	0	0	0	81	11550.4775390625	0.629091502669348	2	-0.0587916666666667	4	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	69	14	81
-BSA_min_23	86	0.50957	-1	5114.2	35	0	0	-1	+	1	LLESEECR	8	118	518.240989833781	NaN	0	PEAK	CID	FTMS	0	0	0	81	10271.2001953125	1	0	0	5	Unmodified	_LLESEECR_	CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5	1.63126590808724	BSA_min_23.mzXML	NaN	NaN	NaN	0	70	14	81
-BSA_min_23	88	0.52259	-1	44411	35	0	0	-1	-	-1	 	0	134	385.207382835291	384.200106368691	1	MULTI	CID	FTMS	0	0	0	87	5929296.5	0.739051055541228	-3	0.0963616666666667	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	71	15	87
-BSA_min_23	89	0.52681	-1	3749.8	35	0	0	-1	-	-1	 	0	100	597.066144900786	2980.29434217093	5	MULTI	CID	FTMS	0	0	0	87	19359.11328125	0.820197080002651	2	-0.04811	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	72	15	87
-BSA_min_23	90	0.53279	-1	3364.5	35	0	0	-1	-	-1	 	0	128	731.29825780069	1460.58196266818	2	MULTI	CID	FTMS	0	0	0	87	10634.3564453125	0.960368079417471	-1	0.0350400000000001	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	73	15	87
-BSA_min_23	92	0.54611	-1	4680.5	35	0	0	-1	-	-1	 	0	116	582.760858227368	1163.50716352154	2	MULTI	CID	FTMS	0	0	0	91	46220.83984375	0.762103661377976	-2	0.0587916666666667	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	74	16	91
-BSA_min_23	93	0.55132	-1	3773.2	35	0	0	-1	-	-1	 	0	106	635.60201346581	1903.78421099763	3	MULTI	CID	FTMS	0	0	0	91	24284.580078125	0.586968526901584	-2	0.0587916666666667	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	75	16	91
-BSA_min_23	94	0.55721	-1	4670.5	35	0	0	-1	-	-1	 	0	143	722.292864587666	1442.57117624213	2	MULTI	CID	FTMS	0	0	0	91	14970.0166015625	0.470778833500893	-2	0.0587916666666667	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	76	16	91
-BSA_min_23	96	0.57043	-1	15235	35	0	0	-1	+	0	DSFDIIK	7	110	419.22149602984	836.428439126479	2	MULTI	CID	FTMS	0	0	0	95	346270.625	0.704625040984097	-1	0.0243583333333334	1	Unmodified	_DSFDIIK_	CON__ENSEMBL:ENSBTAP00000016046	0	BSA_min_23.mzXML	NaN	NaN	NaN	0	77	17	95
-BSA_min_23	97	0.57533	-1	4806.4	35	0	0	-1	-	-1	 	0	129	722.292864587666	1442.57117624213	2	MULTI	CID	FTMS	0	0	0	95	26752.708984375	0.841322322069994	-1	0.0243583333333334	2	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	78	17	95
-BSA_min_23	98	0.58084	-1	3667	35	0	0	-1	-	-1	 	0	113	595.224647156549	NaN	0	PEAK	CID	FTMS	0	0	0	95	6964.16259765625	0.341923515563021	-1	0.0243583333333334	3	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	79	17	95
-BSA_min_23	100	0.59414	-1	44171	35	0	0	-1	-	-1	 	0	176	882.846108818038	1763.67766470288	2	MULTI	CID	FTMS	0	0	0	99	379571.375	0.768338756470332	1	NaN	1	 	 	 	NaN	BSA_min_23.mzXML	NaN	NaN	NaN	0	80	18	99
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/single/combined/txt/mzRange.txt
--- a/test-data/single/combined/txt/mzRange.txt	Thu Aug 15 08:09:00 2019 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,1881 +0,0 @@
-Raw file	m/z	Peaks / Da	Single peaks / Da	Isotope patterns / Da	Single isotope patterns / Da	SILAC pairs / Da	Identified SILAC pairs / Da	SILAC identification rate [%]	MS/MS / Da	Identified MS/MS / Da	Identification rate [%]
-BSA_min_23	111.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	112.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	113.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	114.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	115.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	116.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	117.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	118.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	119.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	120.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	121.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	122.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	123.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	124.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	125.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	126.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	127.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	128.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	129.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	130.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	131.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	132.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	133.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	134.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	135.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	136.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	137.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	138.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	139.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	140.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	141.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	142.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	143.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	144.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	145.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	146.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	147.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	148.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	149.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	150.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	151.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	152.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	153.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	154.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	155.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	156.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	157.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	158.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	159.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	160.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	161.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	162.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	163.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	164.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	165.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	166.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	167.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	168.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	169.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	170.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	171.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	172.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	173.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	174.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	175.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	176.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	177.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	178.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	179.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	180.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	181.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	182.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	183.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	184.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	185.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	186.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	187.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	188.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	189.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	190.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	191.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	192.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	193.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	194.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	195.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	196.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	197.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	198.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	199.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	200.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	201.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	202.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	203.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	204.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	205.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	206.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	207.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	208.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	209.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	210.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	211.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	212.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	213.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	214.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	215.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	216.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	217.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	218.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	219.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	220.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	221.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	222.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	223.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	224.199897766113	0	0	0	0	0	0	NaN	0	0	
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-BSA_min_23	287.199897766113	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	288.199897766113	0	0	0	0	0	0	NaN	0	0	
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-BSA_min_23	291.199897766113	0.2143	0.009856	0.008571	0	0.0004285	0	0	0	0	
-BSA_min_23	292.199897766113	0.3928	0.01807	0.01571	0	0.0007857	0	0	0	0	
-BSA_min_23	293.199897766113	0.5714	0.02628	0.02286	0	0.001143	0	0	0	0	
-BSA_min_23	294.199897766113	0.75	0.0345	0.03	0	0.0015	0	0	0	0	
-BSA_min_23	295.199897766113	0.9286	0.04271	0.03714	0	0.001857	0	0	0	0	
-BSA_min_23	296.199897766113	1.107	0.05093	0.04428	0	0.002214	0	0	0	0	
-BSA_min_23	297.199897766113	1.286	0.05914	0.05143	0	0.002571	0	0	0	0	
-BSA_min_23	298.199897766113	1.464	0.06736	0.05857	0	0.002929	0	0	0	0	
-BSA_min_23	299.199897766113	1.643	0.07557	0.06571	0	0.003286	0	0	0	0	
-BSA_min_23	300.199897766113	1.821	0.08378	0.07286	0	0.003643	0	0	0	0	
-BSA_min_23	301.199897766113	2	0.092	0.08	0	0.004	0	0	0	0	
-BSA_min_23	302.199897766113	2.179	0.1002	0.08714	0	0.004357	0	0	0	0	
-BSA_min_23	303.199897766113	2.357	0.1084	0.09428	0	0.004714	0	0	0	0	
-BSA_min_23	304.199897766113	2.536	0.1166	0.1014	0	0.005071	0	0	0	0	
-BSA_min_23	305.199897766113	2.714	0.1249	0.1086	0	0.005429	0	0	0	0	
-BSA_min_23	306.199897766113	2.893	0.1331	0.1157	0	0.005786	0	0	0	0	
-BSA_min_23	307.199897766113	3.071	0.1413	0.1229	0	0.006143	0	0	0	0	
-BSA_min_23	308.199897766113	3.25	0.1495	0.13	0	0.0065	0	0	0	0	
-BSA_min_23	309.199897766113	3.429	0.1577	0.1371	0	0.006857	0	0	0	0	
-BSA_min_23	310.199897766113	3.724	0.17	0.1614	0	0.008071	0	0	0.0002142	7.139E-05	33.33
-BSA_min_23	311.199897766113	4.488	0.1986	0.2543	0	0.01271	0	0	0.001286	0.0004285	33.33
-BSA_min_23	312.199897766113	5.253	0.2271	0.3471	0	0.01736	0	0	0.002357	0.0007857	33.33
-BSA_min_23	313.199897766113	6.017	0.2557	0.44	0	0.022	0	0	0.003428	0.001143	33.33
-BSA_min_23	314.199897766113	6.781	0.2843	0.5328	0	0.02664	0	0	0.0045	0.0015	33.33
-BSA_min_23	315.199897766113	7.546	0.3129	0.6257	0	0.03129	0	0	0.005571	0.001857	33.33
-BSA_min_23	316.199897766113	8.31	0.3414	0.7186	0	0.03593	0	0	0.006643	0.002214	33.33
-BSA_min_23	317.199897766113	9.074	0.37	0.8114	0	0.04057	0	0	0.007714	0.002571	33.33
-BSA_min_23	318.199897766113	9.838	0.3986	0.9043	0	0.04521	0	0	0.008786	0.002929	33.33
-BSA_min_23	319.199897766113	10.6	0.4271	0.9971	0	0.04986	0	0	0.009857	0.003286	33.33
-BSA_min_23	320.199897766113	11.37	0.4557	1.09	0	0.0545	0	0	0.01093	0.003643	33.33
-BSA_min_23	321.199897766113	12.13	0.4843	1.183	0	0.05914	0	0	0.012	0.004	33.33
-BSA_min_23	322.199897766113	12.9	0.5129	1.276	0	0.06379	0	0	0.01307	0.004357	33.33
-BSA_min_23	323.199897766113	13.66	0.5414	1.369	0	0.06843	0	0	0.01414	0.004714	33.33
-BSA_min_23	324.199897766113	14.42	0.57	1.461	0	0.07307	0	0	0.01521	0.005071	33.33
-BSA_min_23	325.199897766113	15.19	0.5986	1.554	0	0.07771	0	0	0.01629	0.005429	33.33
-BSA_min_23	326.199897766113	15.95	0.6271	1.647	0	0.08236	0	0	0.01736	0.005786	33.33
-BSA_min_23	327.199897766113	16.72	0.6557	1.74	0	0.087	0	0	0.01843	0.006143	33.33
-BSA_min_23	328.199897766113	17.48	0.6843	1.833	0	0.09164	0	0	0.0195	0.0065	33.33
-BSA_min_23	329.199897766113	18.25	0.7129	1.926	0	0.09629	0	0	0.02057	0.006857	33.33
-BSA_min_23	330.199897766113	19.06	0.7415	2.039	0	0.1019	0.0001428	0.1401	0.0215	0.007214	33.55
-BSA_min_23	331.199897766113	20.06	0.7704	2.231	0	0.1116	0.0008571	0.7682	0.02186	0.007571	34.64
-BSA_min_23	332.199897766113	21.06	0.7994	2.424	0	0.1212	0.001571	1.296	0.02221	0.007929	35.69
-BSA_min_23	333.199897766113	22.06	0.8283	2.617	0	0.1309	0.002286	1.747	0.02257	0.008286	36.71
-BSA_min_23	334.199897766113	23.06	0.8572	2.81	0	0.1405	0.003	2.135	0.02293	0.008643	37.69
-BSA_min_23	335.199897766113	24.06	0.8861	3.003	0	0.1501	0.003714	2.474	0.02329	0.009	38.65
-BSA_min_23	336.199897766113	25.06	0.9151	3.196	0	0.1598	0.004428	2.772	0.02364	0.009357	39.58
-BSA_min_23	337.199897766113	26.06	0.944	3.389	0	0.1694	0.005143	3.035	0.024	0.009714	40.48
-BSA_min_23	338.199897766113	27.06	0.9729	3.581	0	0.1791	0.005857	3.271	0.02436	0.01007	41.35
-BSA_min_23	339.199897766113	28.06	1.002	3.774	0	0.1887	0.006571	3.482	0.02471	0.01043	42.2
-BSA_min_23	340.199897766113	29.06	1.031	3.967	0	0.1984	0.007286	3.673	0.02507	0.01079	43.02
-BSA_min_23	341.199897766113	30.06	1.06	4.16	0	0.208	0.008	3.846	0.02543	0.01114	43.82
-BSA_min_23	342.199897766113	31.06	1.089	4.353	0	0.2176	0.008714	4.004	0.02579	0.0115	44.6
-BSA_min_23	343.199897766113	32.06	1.118	4.546	0	0.2273	0.009428	4.148	0.02614	0.01186	45.36
-BSA_min_23	344.199897766113	33.06	1.146	4.739	0	0.2369	0.01014	4.281	0.0265	0.01221	46.09
-BSA_min_23	345.199897766113	34.06	1.175	4.931	0	0.2466	0.01086	4.403	0.02686	0.01257	46.81
-BSA_min_23	346.199897766113	35.06	1.204	5.124	0	0.2562	0.01157	4.516	0.02721	0.01293	47.51
-BSA_min_23	347.199897766113	36.06	1.233	5.317	0	0.2659	0.01229	4.621	0.02757	0.01329	48.19
-BSA_min_23	348.199897766113	37.06	1.262	5.51	0	0.2755	0.013	4.719	0.02793	0.01364	48.85
-BSA_min_23	349.199897766113	38.06	1.291	5.703	0	0.2851	0.01371	4.81	0.02829	0.014	49.49
-BSA_min_23	350.199897766113	38.94	1.317	5.867	0	0.2934	0.01429	4.87	0.02864	0.01429	49.88
-BSA_min_23	351.199897766113	39.37	1.332	5.917	0	0.2959	0.01429	4.829	0.029	0.01429	49.26
-BSA_min_23	352.199897766113	39.8	1.346	5.967	0	0.2984	0.01429	4.788	0.02936	0.01429	48.66
-BSA_min_23	353.199897766113	40.23	1.361	6.017	0	0.3009	0.01429	4.748	0.02971	0.01429	48.08
-BSA_min_23	354.199897766113	40.66	1.376	6.067	0	0.3034	0.01429	4.709	0.03007	0.01429	47.51
-BSA_min_23	355.199897766113	41.09	1.39	6.117	0	0.3059	0.01429	4.671	0.03043	0.01429	46.95
-BSA_min_23	356.199897766113	41.51	1.405	6.167	0	0.3084	0.01429	4.633	0.03079	0.01429	46.4
-BSA_min_23	357.199897766113	41.94	1.42	6.217	0	0.3109	0.01429	4.596	0.03114	0.01429	45.87
-BSA_min_23	358.199897766113	42.37	1.434	6.267	0	0.3134	0.01429	4.559	0.0315	0.01429	45.35
-BSA_min_23	359.199897766113	42.8	1.449	6.317	0	0.3159	0.01429	4.523	0.03186	0.01429	44.84
-BSA_min_23	360.199897766113	43.23	1.464	6.367	0	0.3184	0.01429	4.487	0.03221	0.01429	44.35
-BSA_min_23	361.199897766113	43.66	1.478	6.417	0	0.3209	0.01429	4.452	0.03257	0.01429	43.86
-BSA_min_23	362.199897766113	44.09	1.493	6.467	0	0.3234	0.01429	4.418	0.03293	0.01429	43.38
-BSA_min_23	363.199897766113	44.51	1.508	6.517	0	0.3259	0.01429	4.384	0.03329	0.01429	42.92
-BSA_min_23	364.199897766113	44.94	1.522	6.567	0	0.3284	0.01429	4.351	0.03364	0.01429	42.46
-BSA_min_23	365.199897766113	45.37	1.537	6.617	0	0.3309	0.01429	4.318	0.034	0.01429	42.02
-BSA_min_23	366.199897766113	45.8	1.551	6.667	0	0.3334	0.01429	4.285	0.03436	0.01429	41.58
-BSA_min_23	367.199897766113	46.23	1.566	6.717	0	0.3359	0.01429	4.254	0.03471	0.01429	41.15
-BSA_min_23	368.199897766113	46.66	1.581	6.767	0	0.3384	0.01429	4.222	0.03507	0.01429	40.73
-BSA_min_23	369.199897766113	47.09	1.595	6.817	0	0.3409	0.01429	4.191	0.03543	0.01429	40.32
-BSA_min_23	370.199897766113	47.48	1.609	6.863	0	0.3431	0.01436	4.184	0.03607	0.01436	39.8
-BSA_min_23	371.199897766113	47.72	1.618	6.891	0	0.3446	0.01471	4.27	0.03786	0.01471	38.87
-BSA_min_23	372.199897766113	47.96	1.627	6.92	0	0.346	0.01507	4.356	0.03964	0.01507	38.02
-BSA_min_23	373.199897766113	48.21	1.636	6.949	0	0.3474	0.01543	4.441	0.04143	0.01543	37.24
-BSA_min_23	374.199897766113	48.45	1.645	6.977	0	0.3489	0.01579	4.525	0.04321	0.01579	36.53
-BSA_min_23	375.199897766113	48.69	1.654	7.006	0	0.3503	0.01614	4.608	0.045	0.01614	35.87
-BSA_min_23	376.199897766113	48.93	1.662	7.034	0	0.3517	0.0165	4.691	0.04679	0.0165	35.27
-BSA_min_23	377.199897766113	49.18	1.671	7.063	0	0.3531	0.01686	4.773	0.04857	0.01686	34.71
-BSA_min_23	378.199897766113	49.42	1.68	7.091	0	0.3546	0.01721	4.855	0.05036	0.01721	34.18
-BSA_min_23	379.199897766113	49.66	1.689	7.12	0	0.356	0.01757	4.936	0.05214	0.01757	33.7
-BSA_min_23	380.199897766113	49.91	1.698	7.149	0	0.3574	0.01793	5.016	0.05393	0.01793	33.25
-BSA_min_23	381.199897766113	50.15	1.707	7.177	0	0.3589	0.01829	5.096	0.05571	0.01829	32.82
-BSA_min_23	382.199897766113	50.39	1.716	7.206	0	0.3603	0.01864	5.174	0.0575	0.01864	32.42
-BSA_min_23	383.199897766113	50.63	1.725	7.234	0	0.3617	0.019	5.253	0.05929	0.019	32.05
-BSA_min_23	384.199897766113	50.88	1.734	7.263	0	0.3631	0.01936	5.33	0.06107	0.01936	31.7
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-BSA_min_23	386.199897766113	51.36	1.752	7.32	0	0.366	0.02007	5.484	0.06464	0.02007	31.05
-BSA_min_23	387.199897766113	51.61	1.761	7.349	0	0.3674	0.02043	5.56	0.06643	0.02043	30.75
-BSA_min_23	388.199897766113	51.85	1.77	7.377	0	0.3689	0.02079	5.635	0.06821	0.02079	30.47
-BSA_min_23	389.199897766113	52.09	1.779	7.406	0	0.3703	0.02114	5.71	0.07	0.02114	30.2
-BSA_min_23	390.199897766113	52.33	1.787	7.434	0	0.3717	0.0215	5.784	0.07157	0.02143	29.94
-BSA_min_23	391.199897766113	52.58	1.796	7.463	0	0.3731	0.02186	5.858	0.07229	0.02143	29.64
-BSA_min_23	392.199897766113	52.82	1.805	7.491	0	0.3746	0.02221	5.931	0.073	0.02143	29.35
-BSA_min_23	393.199897766113	53.06	1.813	7.52	0	0.376	0.02257	6.003	0.07371	0.02143	29.07
-BSA_min_23	394.199897766113	53.31	1.822	7.549	0	0.3774	0.02293	6.075	0.07443	0.02143	28.79
-BSA_min_23	395.199897766113	53.55	1.83	7.577	0	0.3789	0.02329	6.146	0.07514	0.02143	28.52
-BSA_min_23	396.199897766113	53.79	1.839	7.606	0	0.3803	0.02364	6.217	0.07586	0.02143	28.25
-BSA_min_23	397.199897766113	54.03	1.847	7.634	0	0.3817	0.024	6.287	0.07657	0.02143	27.99
-BSA_min_23	398.199897766113	54.28	1.856	7.663	0	0.3831	0.02436	6.357	0.07729	0.02143	27.73
-BSA_min_23	399.199897766113	54.52	1.865	7.691	0	0.3846	0.02471	6.426	0.078	0.02143	27.47
-BSA_min_23	400.199897766113	54.76	1.873	7.72	0	0.386	0.02507	6.495	0.07871	0.02143	27.22
-BSA_min_23	401.199897766113	55.01	1.882	7.749	0	0.3874	0.02543	6.563	0.07943	0.02143	26.98
-BSA_min_23	402.199897766113	55.25	1.89	7.777	0	0.3889	0.02579	6.631	0.08014	0.02143	26.74
-BSA_min_23	403.199897766113	55.49	1.899	7.806	0	0.3903	0.02614	6.698	0.08086	0.02143	26.5
-BSA_min_23	404.199897766113	55.73	1.907	7.834	0	0.3917	0.0265	6.765	0.08157	0.02143	26.27
-BSA_min_23	405.199897766113	55.98	1.916	7.863	0	0.3931	0.02686	6.831	0.08229	0.02143	26.04
-BSA_min_23	406.199897766113	56.22	1.925	7.891	0	0.3946	0.02721	6.897	0.083	0.02143	25.82
-BSA_min_23	407.199897766113	56.46	1.933	7.92	0	0.396	0.02757	6.962	0.08371	0.02143	25.6
-BSA_min_23	408.199897766113	56.71	1.942	7.949	0	0.3974	0.02793	7.027	0.08443	0.02143	25.38
-BSA_min_23	409.199897766113	56.95	1.95	7.977	0	0.3989	0.02829	7.092	0.08514	0.02143	25.17
-BSA_min_23	410.199897766113	57.19	1.959	8.003	0	0.4001	0.02857	7.14	0.08586	0.02143	24.96
-BSA_min_23	411.199897766113	57.43	1.97	8.017	0	0.4009	0.02857	7.128	0.08657	0.02143	24.75
-BSA_min_23	412.199897766113	57.68	1.98	8.031	0	0.4016	0.02857	7.115	0.08729	0.02143	24.55
-BSA_min_23	413.199897766113	57.92	1.99	8.046	0	0.4023	0.02857	7.102	0.088	0.02143	24.35
-BSA_min_23	414.199897766113	58.16	2.001	8.06	0	0.403	0.02857	7.09	0.08871	0.02143	24.15
-BSA_min_23	415.199897766113	58.41	2.011	8.074	0	0.4037	0.02857	7.077	0.08943	0.02143	23.96
-BSA_min_23	416.199897766113	58.65	2.021	8.089	0	0.4044	0.02857	7.065	0.09014	0.02143	23.77
-BSA_min_23	417.199897766113	58.89	2.032	8.103	0	0.4051	0.02857	7.052	0.09086	0.02143	23.58
-BSA_min_23	418.199897766113	59.13	2.042	8.117	0	0.4059	0.02857	7.04	0.09157	0.02143	23.4
-BSA_min_23	419.199897766113	59.38	2.052	8.131	0	0.4066	0.02857	7.027	0.09229	0.02143	23.22
-BSA_min_23	420.199897766113	59.62	2.063	8.146	0	0.4073	0.02857	7.015	0.093	0.02143	23.04
-BSA_min_23	421.199897766113	59.86	2.073	8.16	0	0.408	0.02857	7.003	0.09371	0.02143	22.87
-BSA_min_23	422.199897766113	60.11	2.083	8.174	0	0.4087	0.02857	6.991	0.09443	0.02143	22.69
-BSA_min_23	423.199897766113	60.35	2.094	8.189	0	0.4094	0.02857	6.978	0.09514	0.02143	22.52
-BSA_min_23	424.199897766113	60.59	2.104	8.203	0	0.4101	0.02857	6.966	0.09586	0.02143	22.35
-BSA_min_23	425.199897766113	60.83	2.115	8.217	0	0.4109	0.02857	6.954	0.09657	0.02143	22.19
-BSA_min_23	426.199897766113	61.08	2.125	8.231	0	0.4116	0.02857	6.942	0.09729	0.02143	22.03
-BSA_min_23	427.199897766113	61.32	2.135	8.246	0	0.4123	0.02857	6.93	0.098	0.02143	21.87
-BSA_min_23	428.199897766113	61.56	2.146	8.26	0	0.413	0.02857	6.918	0.09871	0.02143	21.71
-BSA_min_23	429.199897766113	61.81	2.156	8.274	0	0.4137	0.02857	6.906	0.09943	0.02143	21.55
-BSA_min_23	430.199897766113	61.99	2.164	8.286	0	0.4143	0.02857	6.897	0.1001	0.0215	21.47
-BSA_min_23	431.199897766113	61.97	2.163	8.286	0	0.4143	0.02857	6.897	0.1009	0.02186	21.67
-BSA_min_23	432.199897766113	61.94	2.161	8.286	0	0.4143	0.02857	6.897	0.1016	0.02221	21.87
-BSA_min_23	433.199897766113	61.91	2.16	8.286	0	0.4143	0.02857	6.897	0.1023	0.02257	22.07
-BSA_min_23	434.199897766113	61.88	2.158	8.286	0	0.4143	0.02857	6.897	0.103	0.02293	22.26
-BSA_min_23	435.199897766113	61.85	2.157	8.286	0	0.4143	0.02857	6.897	0.1037	0.02329	22.45
-BSA_min_23	436.199897766113	61.82	2.155	8.286	0	0.4143	0.02857	6.897	0.1044	0.02364	22.64
-BSA_min_23	437.199897766113	61.79	2.154	8.286	0	0.4143	0.02857	6.897	0.1051	0.024	22.83
-BSA_min_23	438.199897766113	61.77	2.153	8.286	0	0.4143	0.02857	6.897	0.1059	0.02436	23.01
-BSA_min_23	439.199897766113	61.74	2.151	8.286	0	0.4143	0.02857	6.897	0.1066	0.02471	23.19
-BSA_min_23	440.199897766113	61.71	2.15	8.286	0	0.4143	0.02857	6.897	0.1073	0.02507	23.37
-BSA_min_23	441.199897766113	61.68	2.148	8.286	0	0.4143	0.02857	6.897	0.108	0.02543	23.54
-BSA_min_23	442.199897766113	61.65	2.147	8.286	0	0.4143	0.02857	6.897	0.1087	0.02579	23.72
-BSA_min_23	443.199897766113	61.62	2.145	8.286	0	0.4143	0.02857	6.897	0.1094	0.02614	23.89
-BSA_min_23	444.199897766113	61.59	2.144	8.286	0	0.4143	0.02857	6.897	0.1101	0.0265	24.06
-BSA_min_23	445.199897766113	61.57	2.143	8.286	0	0.4143	0.02857	6.897	0.1109	0.02686	24.23
-BSA_min_23	446.199897766113	61.54	2.141	8.286	0	0.4143	0.02857	6.897	0.1116	0.02721	24.39
-BSA_min_23	447.199897766113	61.51	2.14	8.286	0	0.4143	0.02857	6.897	0.1123	0.02757	24.55
-BSA_min_23	448.199897766113	61.48	2.138	8.286	0	0.4143	0.02857	6.897	0.113	0.02793	24.72
-BSA_min_23	449.199897766113	61.45	2.137	8.286	0	0.4143	0.02857	6.897	0.1137	0.02829	24.87
-BSA_min_23	450.199897766113	61.31	2.132	8.269	0	0.4134	0.02857	6.911	0.1141	0.0285	24.97
-BSA_min_23	451.199897766113	60.73	2.111	8.183	0	0.4091	0.02857	6.983	0.1134	0.02814	24.81
-BSA_min_23	452.199897766113	60.14	2.091	8.097	0	0.4049	0.02857	7.057	0.1127	0.02779	24.65
-BSA_min_23	453.199897766113	59.55	2.071	8.011	0	0.4006	0.02857	7.133	0.112	0.02743	24.49
-BSA_min_23	454.199897766113	58.97	2.05	7.926	0	0.3963	0.02857	7.21	0.1113	0.02707	24.33
-BSA_min_23	455.199897766113	58.38	2.03	7.84	0	0.392	0.02857	7.289	0.1106	0.02671	24.16
-BSA_min_23	456.199897766113	57.8	2.01	7.754	0	0.3877	0.02857	7.369	0.1099	0.02636	23.99
-BSA_min_23	457.199897766113	57.21	1.989	7.669	0	0.3834	0.02857	7.452	0.1091	0.026	23.82
-BSA_min_23	458.199897766113	56.63	1.969	7.583	0	0.3791	0.02857	7.536	0.1084	0.02564	23.65
-BSA_min_23	459.199897766113	56.04	1.948	7.497	0	0.3749	0.02857	7.622	0.1077	0.02529	23.47
-BSA_min_23	460.199897766113	55.45	1.928	7.411	0	0.3706	0.02857	7.71	0.107	0.02493	23.3
-BSA_min_23	461.199897766113	54.87	1.908	7.326	0	0.3663	0.02857	7.8	0.1063	0.02457	23.12
-BSA_min_23	462.199897766113	54.28	1.887	7.24	0	0.362	0.02857	7.893	0.1056	0.02421	22.94
-BSA_min_23	463.199897766113	53.7	1.867	7.154	0	0.3577	0.02857	7.987	0.1049	0.02386	22.75
-BSA_min_23	464.199897766113	53.11	1.847	7.069	0	0.3534	0.02857	8.084	0.1041	0.0235	22.57
-BSA_min_23	465.199897766113	52.53	1.826	6.983	0	0.3491	0.02857	8.183	0.1034	0.02314	22.38
-BSA_min_23	466.199897766113	51.94	1.806	6.897	0	0.3449	0.02857	8.285	0.1027	0.02279	22.18
-BSA_min_23	467.199897766113	51.35	1.786	6.811	0	0.3406	0.02857	8.389	0.102	0.02243	21.99
-BSA_min_23	468.199897766113	50.77	1.765	6.726	0	0.3363	0.02857	8.496	0.1013	0.02207	21.79
-BSA_min_23	469.199897766113	50.18	1.745	6.64	0	0.332	0.02857	8.606	0.1006	0.02171	21.59
-BSA_min_23	470.199897766113	49.57	1.724	6.546	0	0.3273	0.02843	8.686	0.1002	0.02136	21.31
-BSA_min_23	471.199897766113	48.87	1.704	6.417	0	0.3209	0.02771	8.638	0.1013	0.021	20.73
-BSA_min_23	472.199897766113	48.17	1.683	6.289	0	0.3144	0.027	8.587	0.1024	0.02064	20.17
-BSA_min_23	473.199897766113	47.47	1.662	6.16	0	0.308	0.02629	8.534	0.1034	0.02029	19.61
-BSA_min_23	474.199897766113	46.77	1.642	6.031	0	0.3016	0.02557	8.479	0.1045	0.01993	19.07
-BSA_min_23	475.199897766113	46.07	1.621	5.903	0	0.2951	0.02486	8.422	0.1056	0.01957	18.54
-BSA_min_23	476.199897766113	45.37	1.6	5.774	0	0.2887	0.02414	8.362	0.1066	0.01921	18.02
-BSA_min_23	477.199897766113	44.67	1.579	5.646	0	0.2823	0.02343	8.3	0.1077	0.01886	17.51
-BSA_min_23	478.199897766113	43.97	1.559	5.517	0	0.2759	0.02271	8.234	0.1088	0.0185	17.01
-BSA_min_23	479.199897766113	43.27	1.538	5.389	0	0.2694	0.022	8.165	0.1099	0.01814	16.52
-BSA_min_23	480.199897766113	42.57	1.517	5.26	0	0.263	0.02129	8.093	0.1109	0.01779	16.03
-BSA_min_23	481.199897766113	41.87	1.497	5.131	0	0.2566	0.02057	8.018	0.112	0.01743	15.56
-BSA_min_23	482.199897766113	41.17	1.476	5.003	0	0.2501	0.01986	7.938	0.1131	0.01707	15.1
-BSA_min_23	483.199897766113	40.47	1.455	4.874	0	0.2437	0.01914	7.855	0.1141	0.01671	14.64
-BSA_min_23	484.199897766113	39.77	1.434	4.746	0	0.2373	0.01843	7.766	0.1152	0.01636	14.2
-BSA_min_23	485.199897766113	39.07	1.414	4.617	0	0.2309	0.01771	7.673	0.1163	0.016	13.76
-BSA_min_23	486.199897766113	38.37	1.393	4.489	0	0.2244	0.017	7.575	0.1174	0.01564	13.33
-BSA_min_23	487.199897766113	37.67	1.372	4.36	0	0.218	0.01629	7.471	0.1184	0.01529	12.91
-BSA_min_23	488.199897766113	36.97	1.352	4.231	0	0.2116	0.01557	7.36	0.1195	0.01493	12.49
-BSA_min_23	489.199897766113	36.27	1.331	4.103	0	0.2051	0.01486	7.242	0.1206	0.01457	12.09
-BSA_min_23	490.199897766113	35.66	1.313	3.993	0	0.1996	0.01429	7.156	0.1214	0.01429	11.76
-BSA_min_23	491.199897766113	35.4	1.305	3.957	0	0.1979	0.01429	7.22	0.1214	0.01429	11.76
-BSA_min_23	492.199897766113	35.13	1.297	3.921	0	0.1961	0.01429	7.286	0.1214	0.01429	11.76
-BSA_min_23	493.199897766113	34.87	1.289	3.886	0	0.1943	0.01429	7.353	0.1214	0.01429	11.76
-BSA_min_23	494.199897766113	34.6	1.281	3.85	0	0.1925	0.01429	7.421	0.1214	0.01429	11.76
-BSA_min_23	495.199897766113	34.34	1.273	3.814	0	0.1907	0.01429	7.491	0.1214	0.01429	11.76
-BSA_min_23	496.199897766113	34.08	1.266	3.779	0	0.1889	0.01429	7.561	0.1214	0.01429	11.76
-BSA_min_23	497.199897766113	33.81	1.258	3.743	0	0.1871	0.01429	7.634	0.1214	0.01429	11.76
-BSA_min_23	498.199897766113	33.55	1.25	3.707	0	0.1854	0.01429	7.707	0.1214	0.01429	11.76
-BSA_min_23	499.199897766113	33.28	1.242	3.671	0	0.1836	0.01429	7.782	0.1214	0.01429	11.76
-BSA_min_23	500.199897766113	33.02	1.234	3.636	0	0.1818	0.01429	7.859	0.1214	0.01429	11.76
-BSA_min_23	501.199897766113	32.75	1.226	3.6	0	0.18	0.01429	7.936	0.1214	0.01429	11.76
-BSA_min_23	502.199897766113	32.49	1.218	3.564	0	0.1782	0.01429	8.016	0.1214	0.01429	11.76
-BSA_min_23	503.199897766113	32.23	1.211	3.529	0	0.1764	0.01429	8.097	0.1214	0.01429	11.76
-BSA_min_23	504.199897766113	31.96	1.203	3.493	0	0.1746	0.01429	8.18	0.1214	0.01429	11.76
-BSA_min_23	505.199897766113	31.7	1.195	3.457	0	0.1729	0.01429	8.264	0.1214	0.01429	11.76
-BSA_min_23	506.199897766113	31.43	1.187	3.421	0	0.1711	0.01429	8.351	0.1214	0.01429	11.76
-BSA_min_23	507.199897766113	31.17	1.179	3.386	0	0.1693	0.01429	8.439	0.1214	0.01429	11.76
-BSA_min_23	508.199897766113	30.9	1.171	3.35	0	0.1675	0.01429	8.529	0.1214	0.01429	11.76
-BSA_min_23	509.199897766113	30.64	1.163	3.314	0	0.1657	0.01429	8.621	0.1214	0.01429	11.76
-BSA_min_23	510.199897766113	30.58	1.162	3.31	0	0.1655	0.01421	8.589	0.1218	0.01421	11.67
-BSA_min_23	511.199897766113	31.36	1.185	3.431	0	0.1716	0.01386	8.077	0.1236	0.01386	11.21
-BSA_min_23	512.199897766113	32.14	1.207	3.553	0	0.1776	0.0135	7.6	0.1254	0.0135	10.77
-BSA_min_23	513.199897766113	32.92	1.23	3.674	0	0.1837	0.01314	7.154	0.1271	0.01314	10.34
-BSA_min_23	514.199897766113	33.7	1.253	3.796	0	0.1898	0.01279	6.737	0.1289	0.01279	9.917
-BSA_min_23	515.199897766113	34.48	1.276	3.917	0	0.1959	0.01243	6.346	0.1307	0.01243	9.508
-BSA_min_23	516.199897766113	35.26	1.299	4.039	0	0.2019	0.01207	5.978	0.1325	0.01207	9.111
-BSA_min_23	517.199897766113	36.03	1.322	4.16	0	0.208	0.01171	5.632	0.1343	0.01171	8.723
-BSA_min_23	518.199897766113	36.81	1.345	4.281	0	0.2141	0.01136	5.305	0.1361	0.01136	8.346
-BSA_min_23	519.199897766113	37.59	1.367	4.403	0	0.2201	0.011	4.997	0.1379	0.011	7.979
-BSA_min_23	520.199897766113	38.37	1.39	4.524	0	0.2262	0.01064	4.705	0.1396	0.01064	7.622
-BSA_min_23	521.199897766113	39.15	1.413	4.646	0	0.2323	0.01029	4.428	0.1414	0.01029	7.273
-BSA_min_23	522.199897766113	39.93	1.436	4.767	0	0.2384	0.009929	4.165	0.1432	0.009929	6.933
-BSA_min_23	523.199897766113	40.71	1.459	4.889	0	0.2444	0.009571	3.916	0.145	0.009571	6.601
-BSA_min_23	524.199897766113	41.48	1.482	5.01	0	0.2505	0.009214	3.678	0.1468	0.009214	6.277
-BSA_min_23	525.199897766113	42.26	1.505	5.131	0	0.2566	0.008857	3.452	0.1486	0.008857	5.962
-BSA_min_23	526.199897766113	43.04	1.527	5.253	0	0.2626	0.0085	3.236	0.1504	0.0085	5.653
-BSA_min_23	527.199897766113	43.82	1.55	5.374	0	0.2687	0.008143	3.03	0.1521	0.008143	5.352
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-BSA_min_23	564.199897766113	44.92	1.504	6.221	0	0.3111	0	0	0.1774	0.007143	4.026
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-BSA_min_23	1174.19989776611	3.91	0.08836	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1175.19989776611	3.889	0.08729	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1176.19989776611	3.867	0.08621	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1177.19989776611	3.846	0.08514	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1178.19989776611	3.824	0.08407	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1179.19989776611	3.803	0.083	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1180.19989776611	3.781	0.08193	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1181.19989776611	3.76	0.08086	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1182.19989776611	3.739	0.07979	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1183.19989776611	3.717	0.07871	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1184.19989776611	3.696	0.07764	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1185.19989776611	3.674	0.07657	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1186.19989776611	3.653	0.0755	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1187.19989776611	3.631	0.07443	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1188.19989776611	3.61	0.07336	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1189.19989776611	3.589	0.07229	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1190.19989776611	3.57	0.07136	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1191.19989776611	3.563	0.071	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1192.19989776611	3.556	0.07064	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1193.19989776611	3.549	0.07029	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1194.19989776611	3.541	0.06993	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1195.19989776611	3.534	0.06957	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1196.19989776611	3.527	0.06921	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1197.19989776611	3.52	0.06886	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1198.19989776611	3.513	0.0685	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1199.19989776611	3.506	0.06814	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1200.19989776611	3.499	0.06779	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1201.19989776611	3.491	0.06743	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1202.19989776611	3.484	0.06707	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1203.19989776611	3.477	0.06671	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1204.19989776611	3.47	0.06636	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1205.19989776611	3.463	0.066	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1206.19989776611	3.456	0.06564	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1207.19989776611	3.449	0.06529	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1208.19989776611	3.441	0.06493	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1209.19989776611	3.434	0.06457	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1210.19989776611	3.427	0.06421	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1211.19989776611	3.42	0.06386	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1212.19989776611	3.413	0.0635	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1213.19989776611	3.406	0.06314	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1214.19989776611	3.399	0.06279	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1215.19989776611	3.391	0.06243	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1216.19989776611	3.384	0.06207	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1217.19989776611	3.377	0.06171	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1218.19989776611	3.37	0.06136	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1219.19989776611	3.363	0.061	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1220.19989776611	3.356	0.06064	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1221.19989776611	3.349	0.06029	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1222.19989776611	3.341	0.05993	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1223.19989776611	3.334	0.05957	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1224.19989776611	3.327	0.05921	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1225.19989776611	3.32	0.05886	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1226.19989776611	3.313	0.0585	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1227.19989776611	3.306	0.05814	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1228.19989776611	3.299	0.05779	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1229.19989776611	3.291	0.05743	0.7143	0	0.03571	0	0	0.03571	0	0
-BSA_min_23	1230.19989776611	3.261	0.057	0.7071	0	0.03536	0	0	0.03536	0	0
-BSA_min_23	1231.19989776611	3.14	0.05629	0.6714	0	0.03357	0	0	0.03357	0	0
-BSA_min_23	1232.19989776611	3.019	0.05557	0.6357	0	0.03179	0	0	0.03179	0	0
-BSA_min_23	1233.19989776611	2.897	0.05486	0.6	0	0.03	0	0	0.03	0	0
-BSA_min_23	1234.19989776611	2.776	0.05414	0.5643	0	0.02821	0	0	0.02821	0	0
-BSA_min_23	1235.19989776611	2.654	0.05343	0.5286	0	0.02643	0	0	0.02643	0	0
-BSA_min_23	1236.19989776611	2.533	0.05271	0.4929	0	0.02464	0	0	0.02464	0	0
-BSA_min_23	1237.19989776611	2.411	0.052	0.4571	0	0.02286	0	0	0.02286	0	0
-BSA_min_23	1238.19989776611	2.29	0.05129	0.4214	0	0.02107	0	0	0.02107	0	0
-BSA_min_23	1239.19989776611	2.169	0.05057	0.3857	0	0.01929	0	0	0.01929	0	0
-BSA_min_23	1240.19989776611	2.047	0.04986	0.35	0	0.0175	0	0	0.0175	0	0
-BSA_min_23	1241.19989776611	1.926	0.04914	0.3143	0	0.01571	0	0	0.01571	0	0
-BSA_min_23	1242.19989776611	1.804	0.04843	0.2786	0	0.01393	0	0	0.01393	0	0
-BSA_min_23	1243.19989776611	1.683	0.04771	0.2429	0	0.01214	0	0	0.01214	0	0
-BSA_min_23	1244.19989776611	1.561	0.047	0.2071	0	0.01036	0	0	0.01036	0	0
-BSA_min_23	1245.19989776611	1.44	0.04629	0.1714	0	0.008572	0	0	0.008572	0	0
-BSA_min_23	1246.19989776611	1.319	0.04557	0.1357	0	0.006786	0	0	0.006786	0	0
-BSA_min_23	1247.19989776611	1.197	0.04486	0.1	0	0.005	0	0	0.005	0	0
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-BSA_min_23	1252.19989776611	0.8414	0.04207	0	0	0	0	NaN	0	0	
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-BSA_min_23	1254.19989776611	0.8271	0.04136	0	0	0	0	NaN	0	0	
-BSA_min_23	1255.19989776611	0.82	0.041	0	0	0	0	NaN	0	0	
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-BSA_min_23	1265.19989776611	0.7486	0.03743	0	0	0	0	NaN	0	0	
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-BSA_min_23	1267.19989776611	0.7343	0.03671	0	0	0	0	NaN	0	0	
-BSA_min_23	1268.19989776611	0.7271	0.03636	0	0	0	0	NaN	0	0	
-BSA_min_23	1269.19989776611	0.72	0.036	0	0	0	0	NaN	0	0	
-BSA_min_23	1270.19989776611	0.7114	0.03557	0	0	0	0	NaN	0	0	
-BSA_min_23	1271.19989776611	0.6971	0.03486	0	0	0	0	NaN	0	0	
-BSA_min_23	1272.19989776611	0.6829	0.03414	0	0	0	0	NaN	0	0	
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-BSA_min_23	1275.19989776611	0.64	0.032	0	0	0	0	NaN	0	0	
-BSA_min_23	1276.19989776611	0.6257	0.03129	0	0	0	0	NaN	0	0	
-BSA_min_23	1277.19989776611	0.6114	0.03057	0	0	0	0	NaN	0	0	
-BSA_min_23	1278.19989776611	0.5971	0.02986	0	0	0	0	NaN	0	0	
-BSA_min_23	1279.19989776611	0.5829	0.02914	0	0	0	0	NaN	0	0	
-BSA_min_23	1280.19989776611	0.5686	0.02843	0	0	0	0	NaN	0	0	
-BSA_min_23	1281.19989776611	0.5543	0.02771	0	0	0	0	NaN	0	0	
-BSA_min_23	1282.19989776611	0.54	0.027	0	0	0	0	NaN	0	0	
-BSA_min_23	1283.19989776611	0.5257	0.02629	0	0	0	0	NaN	0	0	
-BSA_min_23	1284.19989776611	0.5114	0.02557	0	0	0	0	NaN	0	0	
-BSA_min_23	1285.19989776611	0.4971	0.02486	0	0	0	0	NaN	0	0	
-BSA_min_23	1286.19989776611	0.4829	0.02414	0	0	0	0	NaN	0	0	
-BSA_min_23	1287.19989776611	0.4686	0.02343	0	0	0	0	NaN	0	0	
-BSA_min_23	1288.19989776611	0.4543	0.02271	0	0	0	0	NaN	0	0	
-BSA_min_23	1289.19989776611	0.44	0.022	0	0	0	0	NaN	0	0	
-BSA_min_23	1290.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1291.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1292.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1293.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1294.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1295.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1296.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1297.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1298.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1299.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1300.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1301.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1302.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1303.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1304.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1305.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1306.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1307.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1308.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1309.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1310.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1311.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1312.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1313.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1314.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1315.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1316.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1317.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1318.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1319.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1320.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1321.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1322.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1323.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1324.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1325.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1326.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1327.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1328.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1329.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1330.19989776611	0.4257	0.02129	0	0	0	0	NaN	0	0	
-BSA_min_23	1331.19989776611	0.4114	0.02057	0	0	0	0	NaN	0	0	
-BSA_min_23	1332.19989776611	0.3971	0.01986	0	0	0	0	NaN	0	0	
-BSA_min_23	1333.19989776611	0.3829	0.01914	0	0	0	0	NaN	0	0	
-BSA_min_23	1334.19989776611	0.3686	0.01843	0	0	0	0	NaN	0	0	
-BSA_min_23	1335.19989776611	0.3543	0.01771	0	0	0	0	NaN	0	0	
-BSA_min_23	1336.19989776611	0.34	0.017	0	0	0	0	NaN	0	0	
-BSA_min_23	1337.19989776611	0.3257	0.01629	0	0	0	0	NaN	0	0	
-BSA_min_23	1338.19989776611	0.3114	0.01557	0	0	0	0	NaN	0	0	
-BSA_min_23	1339.19989776611	0.2971	0.01486	0	0	0	0	NaN	0	0	
-BSA_min_23	1340.19989776611	0.2829	0.01414	0	0	0	0	NaN	0	0	
-BSA_min_23	1341.19989776611	0.2686	0.01343	0	0	0	0	NaN	0	0	
-BSA_min_23	1342.19989776611	0.2543	0.01271	0	0	0	0	NaN	0	0	
-BSA_min_23	1343.19989776611	0.24	0.012	0	0	0	0	NaN	0	0	
-BSA_min_23	1344.19989776611	0.2257	0.01129	0	0	0	0	NaN	0	0	
-BSA_min_23	1345.19989776611	0.2114	0.01057	0	0	0	0	NaN	0	0	
-BSA_min_23	1346.19989776611	0.1971	0.009857	0	0	0	0	NaN	0	0	
-BSA_min_23	1347.19989776611	0.1829	0.009143	0	0	0	0	NaN	0	0	
-BSA_min_23	1348.19989776611	0.1686	0.008429	0	0	0	0	NaN	0	0	
-BSA_min_23	1349.19989776611	0.1543	0.007714	0	0	0	0	NaN	0	0	
-BSA_min_23	1350.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1351.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1352.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1353.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1354.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1355.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1356.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1357.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1358.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1359.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1360.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1361.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1362.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1363.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1364.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1365.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1366.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1367.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1368.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1369.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1370.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1371.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1372.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1373.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1374.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1375.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1376.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1377.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1378.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1379.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1380.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1381.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1382.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1383.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1384.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1385.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1386.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1387.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1388.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1389.19989776611	0.1429	0.007143	0	0	0	0	NaN	0	0	
-BSA_min_23	1390.19989776611	0.1457	0.007286	0	0	0	0	NaN	0	0	
-BSA_min_23	1391.19989776611	0.16	0.008	0	0	0	0	NaN	0	0	
-BSA_min_23	1392.19989776611	0.1743	0.008714	0	0	0	0	NaN	0	0	
-BSA_min_23	1393.19989776611	0.1886	0.009428	0	0	0	0	NaN	0	0	
-BSA_min_23	1394.19989776611	0.2029	0.01014	0	0	0	0	NaN	0	0	
-BSA_min_23	1395.19989776611	0.2171	0.01086	0	0	0	0	NaN	0	0	
-BSA_min_23	1396.19989776611	0.2314	0.01157	0	0	0	0	NaN	0	0	
-BSA_min_23	1397.19989776611	0.2457	0.01229	0	0	0	0	NaN	0	0	
-BSA_min_23	1398.19989776611	0.26	0.013	0	0	0	0	NaN	0	0	
-BSA_min_23	1399.19989776611	0.2743	0.01371	0	0	0	0	NaN	0	0	
-BSA_min_23	1400.19989776611	0.2886	0.01443	0	0	0	0	NaN	0	0	
-BSA_min_23	1401.19989776611	0.3029	0.01514	0	0	0	0	NaN	0	0	
-BSA_min_23	1402.19989776611	0.3171	0.01586	0	0	0	0	NaN	0	0	
-BSA_min_23	1403.19989776611	0.3314	0.01657	0	0	0	0	NaN	0	0	
-BSA_min_23	1404.19989776611	0.3457	0.01729	0	0	0	0	NaN	0	0	
-BSA_min_23	1405.19989776611	0.36	0.018	0	0	0	0	NaN	0	0	
-BSA_min_23	1406.19989776611	0.3743	0.01871	0	0	0	0	NaN	0	0	
-BSA_min_23	1407.19989776611	0.3886	0.01943	0	0	0	0	NaN	0	0	
-BSA_min_23	1408.19989776611	0.4029	0.02014	0	0	0	0	NaN	0	0	
-BSA_min_23	1409.19989776611	0.4171	0.02086	0	0	0	0	NaN	0	0	
-BSA_min_23	1410.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1411.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1412.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1413.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1414.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1415.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1416.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1417.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1418.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1419.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1420.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1421.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1422.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1423.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1424.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1425.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1426.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1427.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1428.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1429.19989776611	0.4286	0.02143	0	0	0	0	NaN	0	0	
-BSA_min_23	1430.19989776611	0.4343	0.02171	0	0	0	0	NaN	0	0	
-BSA_min_23	1431.19989776611	0.4629	0.02314	0	0	0	0	NaN	0	0	
-BSA_min_23	1432.19989776611	0.4914	0.02457	0	0	0	0	NaN	0	0	
-BSA_min_23	1433.19989776611	0.52	0.026	0	0	0	0	NaN	0	0	
-BSA_min_23	1434.19989776611	0.5486	0.02743	0	0	0	0	NaN	0	0	
-BSA_min_23	1435.19989776611	0.5771	0.02886	0	0	0	0	NaN	0	0	
-BSA_min_23	1436.19989776611	0.6057	0.03029	0	0	0	0	NaN	0	0	
-BSA_min_23	1437.19989776611	0.6343	0.03171	0	0	0	0	NaN	0	0	
-BSA_min_23	1438.19989776611	0.6629	0.03314	0	0	0	0	NaN	0	0	
-BSA_min_23	1439.19989776611	0.6914	0.03457	0	0	0	0	NaN	0	0	
-BSA_min_23	1440.19989776611	0.72	0.036	0	0	0	0	NaN	0	0	
-BSA_min_23	1441.19989776611	0.7486	0.03743	0	0	0	0	NaN	0	0	
-BSA_min_23	1442.19989776611	0.7771	0.03886	0	0	0	0	NaN	0	0	
-BSA_min_23	1443.19989776611	0.8057	0.04029	0	0	0	0	NaN	0	0	
-BSA_min_23	1444.19989776611	0.8343	0.04171	0	0	0	0	NaN	0	0	
-BSA_min_23	1445.19989776611	0.8629	0.04314	0	0	0	0	NaN	0	0	
-BSA_min_23	1446.19989776611	0.8914	0.04457	0	0	0	0	NaN	0	0	
-BSA_min_23	1447.19989776611	0.92	0.046	0	0	0	0	NaN	0	0	
-BSA_min_23	1448.19989776611	0.9486	0.04743	0	0	0	0	NaN	0	0	
-BSA_min_23	1449.19989776611	0.9771	0.04886	0	0	0	0	NaN	0	0	
-BSA_min_23	1450.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1451.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1452.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1453.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1454.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1455.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1456.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1457.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1458.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1459.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1460.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1461.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1462.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1463.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1464.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1465.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1466.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1467.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1468.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1469.19989776611	1	0.05	0	0	0	0	NaN	0	0	
-BSA_min_23	1470.19989776611	1.007	0.05036	0	0	0	0	NaN	0	0	
-BSA_min_23	1471.19989776611	1.043	0.05214	0	0	0	0	NaN	0	0	
-BSA_min_23	1472.19989776611	1.079	0.05393	0	0	0	0	NaN	0	0	
-BSA_min_23	1473.19989776611	1.114	0.05571	0	0	0	0	NaN	0	0	
-BSA_min_23	1474.19989776611	1.15	0.0575	0	0	0	0	NaN	0	0	
-BSA_min_23	1475.19989776611	1.186	0.05929	0	0	0	0	NaN	0	0	
-BSA_min_23	1476.19989776611	1.221	0.06107	0	0	0	0	NaN	0	0	
-BSA_min_23	1477.19989776611	1.257	0.06286	0	0	0	0	NaN	0	0	
-BSA_min_23	1478.19989776611	1.293	0.06464	0	0	0	0	NaN	0	0	
-BSA_min_23	1479.19989776611	1.329	0.06643	0	0	0	0	NaN	0	0	
-BSA_min_23	1480.19989776611	1.364	0.06821	0	0	0	0	NaN	0	0	
-BSA_min_23	1481.19989776611	1.4	0.07	0	0	0	0	NaN	0	0	
-BSA_min_23	1482.19989776611	1.436	0.07179	0	0	0	0	NaN	0	0	
-BSA_min_23	1483.19989776611	1.471	0.07357	0	0	0	0	NaN	0	0	
-BSA_min_23	1484.19989776611	1.507	0.07536	0	0	0	0	NaN	0	0	
-BSA_min_23	1485.19989776611	1.543	0.07714	0	0	0	0	NaN	0	0	
-BSA_min_23	1486.19989776611	1.579	0.07893	0	0	0	0	NaN	0	0	
-BSA_min_23	1487.19989776611	1.614	0.08071	0	0	0	0	NaN	0	0	
-BSA_min_23	1488.19989776611	1.65	0.0825	0	0	0	0	NaN	0	0	
-BSA_min_23	1489.19989776611	1.686	0.08429	0	0	0	0	NaN	0	0	
-BSA_min_23	1490.19989776611	1.756	0.0875	0.002856	0	0.0001428	0	0	0	0	
-BSA_min_23	1491.19989776611	1.963	0.09643	0.01714	0	0.0008571	0	0	0	0	
-BSA_min_23	1492.19989776611	2.17	0.1054	0.03143	0	0.001571	0	0	0	0	
-BSA_min_23	1493.19989776611	2.377	0.1143	0.04571	0	0.002286	0	0	0	0	
-BSA_min_23	1494.19989776611	2.584	0.1232	0.06	0	0.003	0	0	0	0	
-BSA_min_23	1495.19989776611	2.791	0.1321	0.07428	0	0.003714	0	0	0	0	
-BSA_min_23	1496.19989776611	2.999	0.1411	0.08857	0	0.004428	0	0	0	0	
-BSA_min_23	1497.19989776611	3.206	0.15	0.1029	0	0.005143	0	0	0	0	
-BSA_min_23	1498.19989776611	3.413	0.1589	0.1171	0	0.005857	0	0	0	0	
-BSA_min_23	1499.19989776611	3.62	0.1679	0.1314	0	0.006571	0	0	0	0	
-BSA_min_23	1500.19989776611	3.827	0.1768	0.1457	0	0.007286	0	0	0	0	
-BSA_min_23	1501.19989776611	4.034	0.1857	0.16	0	0.008	0	0	0	0	
-BSA_min_23	1502.19989776611	4.241	0.1946	0.1743	0	0.008714	0	0	0	0	
-BSA_min_23	1503.19989776611	4.449	0.2036	0.1886	0	0.009428	0	0	0	0	
-BSA_min_23	1504.19989776611	4.656	0.2125	0.2029	0	0.01014	0	0	0	0	
-BSA_min_23	1505.19989776611	4.863	0.2214	0.2171	0	0.01086	0	0	0	0	
-BSA_min_23	1506.19989776611	5.07	0.2304	0.2314	0	0.01157	0	0	0	0	
-BSA_min_23	1507.19989776611	5.277	0.2393	0.2457	0	0.01229	0	0	0	0	
-BSA_min_23	1508.19989776611	5.484	0.2482	0.26	0	0.013	0	0	0	0	
-BSA_min_23	1509.19989776611	5.691	0.2571	0.2743	0	0.01371	0	0	0	0	
-BSA_min_23	1510.19989776611	5.871	0.265	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1511.19989776611	5.943	0.2686	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1512.19989776611	6.014	0.2721	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1513.19989776611	6.086	0.2757	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1514.19989776611	6.157	0.2793	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1515.19989776611	6.229	0.2829	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1516.19989776611	6.3	0.2864	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1517.19989776611	6.371	0.29	0.2857	0	0.01429	0	0	0	0	
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-BSA_min_23	1592.19989776611	6.714	0.3071	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1593.19989776611	6.714	0.3071	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1594.19989776611	6.714	0.3071	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1595.19989776611	6.714	0.3071	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1596.19989776611	6.714	0.3071	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1597.19989776611	6.714	0.3071	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1598.19989776611	6.714	0.3071	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1599.19989776611	6.714	0.3071	0.2857	0	0.01429	0	0	0	0	
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-BSA_min_23	1602.19989776611	6.714	0.3071	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1603.19989776611	6.714	0.3071	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1604.19989776611	6.714	0.3071	0.2857	0	0.01429	0	0	0	0	
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-BSA_min_23	1607.19989776611	6.714	0.3071	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1608.19989776611	6.714	0.3071	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1609.19989776611	6.714	0.3071	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1610.19989776611	6.706	0.3067	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1611.19989776611	6.663	0.3046	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1612.19989776611	6.62	0.3024	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1613.19989776611	6.577	0.3003	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1614.19989776611	6.534	0.2981	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1615.19989776611	6.491	0.296	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1616.19989776611	6.449	0.2939	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1617.19989776611	6.406	0.2917	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1618.19989776611	6.363	0.2896	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1619.19989776611	6.32	0.2874	0.2857	0	0.01429	0	0	0	0	
-BSA_min_23	1620.19989776611	6.277	0.2853	0.2857	0	0.01429	0	0	0	0	
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-BSA_min_23	1622.19989776611	6.191	0.281	0.2857	0	0.01429	0	0	0	0	
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-BSA_min_23	1907.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1908.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1909.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1910.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1911.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1912.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1913.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1914.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1915.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1916.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1917.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1918.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1919.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1920.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1921.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1922.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1923.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1924.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1925.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1926.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1927.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1928.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1929.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1930.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1931.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1932.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1933.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1934.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1935.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1936.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1937.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1938.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1939.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1940.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1941.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1942.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1943.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1944.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1945.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1946.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1947.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1948.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1949.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1950.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1951.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1952.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1953.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1954.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1955.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1956.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1957.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1958.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1959.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1960.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1961.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1962.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1963.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1964.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1965.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1966.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1967.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1968.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1969.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1970.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1971.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1972.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1973.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1974.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1975.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1976.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1977.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1978.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1979.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1980.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1981.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1982.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1983.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1984.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1985.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1986.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1987.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1988.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1989.19989776611	0	0	0	0	0	0	NaN	0	0	
-BSA_min_23	1990.19989776611	0	0	0	0	0	0	NaN	0	0	
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/single/combined/txt/mzTab.mzTab
--- a/test-data/single/combined/txt/mzTab.mzTab	Thu Aug 15 08:09:00 2019 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,45 +0,0 @@
-MTD	mzTab-version	1.0.0
-MTD	mzTab-mode	Complete
-MTD	mzTab-type	Identification
-MTD	title	null
-MTD	description	null
-MTD	software[1]	[MS, MS:1001583, MaxQuant,1.6.3.4]
-COM	[, CHEMMOD:57.0214637236, Carbamidomethyl (C),]	
-MTD	fixed_mod[1]	[, , CHEMMOD:57.0214637236,]
-MTD	fixed_mod[1]-site	C
-MTD	fixed_mod[1]-position	Anywhere
-COM	[, CHEMMOD:15.9949146221, Oxidation (M),]	
-MTD	variable_mod[1]	[, , CHEMMOD:15.9949146221,]
-MTD	variable_mod[1]-site	M
-MTD	variable_mod[1]-position	Anywhere
-MTD	protein_search_engine_score[1]	[MS, MS:1002375, protein group-level combined FDRscore, ]
-MTD	peptide_search_engine_score[1]	[MS, MS:1001250, local FDR, ]
-MTD	psm_search_engine_score[1]	[MS, MS:1002338, Andromeda:score,  ]
-MTD	psm_search_engine_score[2]	[MS, MS:1002995, Andromeda:PEP,  ]
-MTD	ms_run[1]-format	[MS, MS:1002996, Andromeda:apl file format, ]
-MTD	ms_run[1]-location	file://d:/shared/dglaetzer/maxquant_tool/test1/combined/andromeda/allspectra.cid.ftms.secpep.sil0_0.apl
-MTD	ms_run[1]-id_format	[MS, MS:1000776, scan number only nativeID format, ]
-MTD	ms_run[2]-format	[MS, MS:1002996, Andromeda:apl file format, ]
-MTD	ms_run[2]-location	file://d:/shared/dglaetzer/maxquant_tool/test1/combined/andromeda/allspectra.cid.ftms.iso_0.apl
-MTD	ms_run[2]-id_format	[MS, MS:1000776, scan number only nativeID format, ]
-
-PRH	accession	description	taxid	species	database	database_version	search_engine	best_search_engine_score[1]	search_engine_score[1]_ms_run[1]	search_engine_score[1]_ms_run[2]	num_psms_ms_run[1]	num_psms_ms_run[2]	num_peptides_distinct_ms_run[1]	num_peptides_distinct_ms_run[2]	num_peptides_unique_ms_run[1]	num_peptides_unique_ms_run[2]	ambiguity_members	modifications	protein_coverage	opt_global_cv_MS:1002217_decoy_peptide 
-PRT	CON__P02769	null	null	null	null	null	[MS, MS:1002337, Andromeda, 1.6.3.4]	6.33205607832812	null	null	null	null	null	null	null	null	CON__P02769, bsa, CON__P02768-1	null	0.012	0
-PRT	CON__ENSEMBL:ENSBTAP00000001528	null	null	null	null	null	[MS, MS:1002337, Andromeda, 1.6.3.4]	5.93746772688895	null	null	null	null	null	null	null	null	CON__ENSEMBL:ENSBTAP00000001528	null	0.008	0
-PRT	CON__ENSEMBL:ENSBTAP00000016046	null	null	null	null	null	[MS, MS:1002337, Andromeda, 1.6.3.4]	5.97677849538172	null	null	null	null	null	null	null	null	CON__ENSEMBL:ENSBTAP00000016046	null	0.01	0
-PRT	CON__ENSEMBL:ENSBTAP00000018574	null	null	null	null	null	[MS, MS:1002337, Andromeda, 1.6.3.4]	5.95544937626172	null	null	null	null	null	null	null	null	CON__ENSEMBL:ENSBTAP00000018574	null	0.016	0
-PRT	CON__Q03247	null	null	null	null	null	[MS, MS:1002337, Andromeda, 1.6.3.4]	5.93746772688895	null	null	null	null	null	null	null	null	CON__Q03247	null	0.025	0
-PRT	CON__Q14CN4-1	null	null	null	null	null	[MS, MS:1002337, Andromeda, 1.6.3.4]	6.1237531147968	null	null	null	null	null	null	null	null	CON__Q14CN4-1, CON__Q3SY84, CON__Q9R0H5	null	0.016	0
-
-PSH	sequence	PSM_ID	accession	unique	database	database_version	search_engine	search_engine_score[1]	search_engine_score[2]	modifications	retention_time	charge	exp_mass_to_charge	calc_mass_to_charge	spectra_ref	pre	post	start	end	opt_global_cv_MS:1000776_scan_number_only_nativeID_format	opt_global_cv_MS:1002217_decoy_peptide 
-PSM	DSFDIIK	1	CON__ENSEMBL:ENSBTAP00000016046	1	null	null	[MS, MS:1002338, Andromeda:score, 1.6.3.4]	0	0.010549248059121	null	0.570428333333333	2	419.22	419.22127	ms_run[2]:index=5	R	R	646	652	96	0
-PSM	LLESEECR	2	CON__Q14CN4-1	0	null	null	[MS, MS:1002338, Andromeda:score, 1.6.3.4]	1.63126590808724	0.00752050293704335	null	0.509571666666667	2	518.24	518.24241	ms_run[2]:index=13	K	M	430	437	86	0
-PSM	LLESEECR	2	CON__Q3SY84	0	null	null	[MS, MS:1002338, Andromeda:score, 1.6.3.4]	1.63126590808724	0.00752050293704335	null	0.509571666666667	2	518.24	518.24241	ms_run[2]:index=13	K	M	430	437	86	0
-PSM	LLESEECR	2	CON__Q9R0H5	0	null	null	[MS, MS:1002338, Andromeda:score, 1.6.3.4]	1.63126590808724	0.00752050293704335	null	0.509571666666667	2	518.24	518.24241	ms_run[2]:index=13	K	M	430	437	86	0
-PSM	LVTDLTK	3	CON__P02769	0	null	null	[MS, MS:1002338, Andromeda:score, 1.6.3.4]	0	0.00465525978542915	null	0.0100133333333333	2	395.24	395.23946	ms_run[2]:index=4	K	V	257	263	2	0
-PSM	LVTDLTK	3	bsa	0	null	null	[MS, MS:1002338, Andromeda:score, 1.6.3.4]	0	0.00465525978542915	null	0.0100133333333333	2	395.24	395.23946	ms_run[2]:index=4	K	V	257	263	2	0
-PSM	LVTDLTK	3	CON__P02768-1	0	null	null	[MS, MS:1002338, Andromeda:score, 1.6.3.4]	0	0.00465525978542915	null	0.0100133333333333	2	395.24	395.23946	ms_run[2]:index=4	K	V	257	263	2	0
-PSM	QLELEKQLEK	4	CON__ENSEMBL:ENSBTAP00000001528	1	null	null	[MS, MS:1002338, Andromeda:score, 1.6.3.4]	0	0.0115486780155693	null	0.570428333333333	3	419.91	419.90648	ms_run[1]:index=5	R	Q	408	417	96	0
-PSM	SLSAIRER	5	CON__Q03247	1	null	null	[MS, MS:1002338, Andromeda:score, 1.6.3.4]	0	0.0115486780155693	null	0.0965533333333333	2	466.27	466.26962	ms_run[1]:index=2	R	F	190	197	17	0
-PSM	TLGPWGQR	6	CON__ENSEMBL:ENSBTAP00000018574	1	null	null	[MS, MS:1002338, Andromeda:score, 1.6.3.4]	0	0.0110802771561295	null	0.425933333333333	2	457.75	457.74578	ms_run[2]:index=9	R	D	20	27	72	0
-
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/single/combined/txt/parameters.txt
--- a/test-data/single/combined/txt/parameters.txt	Thu Aug 15 08:09:00 2019 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,105 +0,0 @@
-Parameter	Value
-Version	1.6.3.4
-User name	dglaetzer
-Machine name	FPROT-BEAST
-Date of writing	04/04/2019 17:32:37
-Include contaminants	True
-PSM FDR	0.01
-PSM FDR Crosslink	0.01
-Protein FDR	0.01
-Site FDR	0.01
-Use Normalized Ratios For Occupancy	True
-Min. peptide Length	7
-Min. score for unmodified peptides	0
-Min. score for modified peptides	40
-Min. delta score for unmodified peptides	0
-Min. delta score for modified peptides	6
-Min. unique peptides	0
-Min. razor peptides	1
-Min. peptides	1
-Use only unmodified peptides and	True
-Modifications included in protein quantification	Oxidation (M)
-Peptides used for protein quantification	Razor
-Discard unmodified counterpart peptides	True
-Label min. ratio count	2
-Use delta score	False
-iBAQ	False
-iBAQ log fit	False
-Match between runs	False
-Find dependent peptides	False
-Fasta file	D:\fasta\bsa.fasta
-Decoy mode	revert
-Include contaminants	True
-Advanced ratios	True
-Fixed andromeda index folder	
-Temporary folder	
-Combined folder location	
-Second peptides	True
-Stabilize large LFQ ratios	True
-Separate LFQ in parameter groups	False
-Require MS/MS for LFQ comparisons	True
-Calculate peak properties	False
-Main search max. combinations	200
-Advanced site intensities	True
-Write msScans table	False
-Write msmsScans table	True
-Write ms3Scans table	True
-Write allPeptides table	True
-Write mzRange table	True
-Write pasefMsmsScans table	True
-Write accumulatedPasefMsmsScans table	True
-Max. peptide mass [Da]	4600
-Min. peptide length for unspecific search	8
-Max. peptide length for unspecific search	25
-Razor protein FDR	True
-Disable MD5	False
-Max mods in site table	3
-Match unidentified features	False
-Epsilon score for mutations	
-Evaluate variant peptides separately	True
-Variation mode	None
-MS/MS tol. (FTMS)	20 ppm
-Top MS/MS peaks per Da interval. (FTMS)	12
-Da interval. (FTMS)	100
-MS/MS deisotoping (FTMS)	True
-MS/MS deisotoping tolerance (FTMS)	7
-MS/MS deisotoping tolerance unit (FTMS)	ppm
-MS/MS higher charges (FTMS)	True
-MS/MS water loss (FTMS)	True
-MS/MS ammonia loss (FTMS)	True
-MS/MS dependent losses (FTMS)	True
-MS/MS recalibration (FTMS)	False
-MS/MS tol. (ITMS)	0.5 Da
-Top MS/MS peaks per Da interval. (ITMS)	8
-Da interval. (ITMS)	100
-MS/MS deisotoping (ITMS)	False
-MS/MS deisotoping tolerance (ITMS)	0.15
-MS/MS deisotoping tolerance unit (ITMS)	Da
-MS/MS higher charges (ITMS)	True
-MS/MS water loss (ITMS)	True
-MS/MS ammonia loss (ITMS)	True
-MS/MS dependent losses (ITMS)	True
-MS/MS recalibration (ITMS)	False
-MS/MS tol. (TOF)	40 ppm
-Top MS/MS peaks per Da interval. (TOF)	10
-Da interval. (TOF)	100
-MS/MS deisotoping (TOF)	True
-MS/MS deisotoping tolerance (TOF)	0.01
-MS/MS deisotoping tolerance unit (TOF)	Da
-MS/MS higher charges (TOF)	True
-MS/MS water loss (TOF)	True
-MS/MS ammonia loss (TOF)	True
-MS/MS dependent losses (TOF)	True
-MS/MS recalibration (TOF)	False
-MS/MS tol. (Unknown)	0.5 Da
-Top MS/MS peaks per Da interval. (Unknown)	8
-Da interval. (Unknown)	100
-MS/MS deisotoping (Unknown)	False
-MS/MS deisotoping tolerance (Unknown)	0.15
-MS/MS deisotoping tolerance unit (Unknown)	Da
-MS/MS higher charges (Unknown)	True
-MS/MS water loss (Unknown)	True
-MS/MS ammonia loss (Unknown)	True
-MS/MS dependent losses (Unknown)	True
-MS/MS recalibration (Unknown)	False
-Site tables	Oxidation (M)Sites.txt
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/single/combined/txt/peptideSection.txt
--- a/test-data/single/combined/txt/peptideSection.txt	Thu Aug 15 08:09:00 2019 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,7 +0,0 @@
-PEH	sequence	accession	unique	database	database_version	search_engine	best_search_engine_score[1]	search_engine_score[1]_ms_run[0]	modifications	retention_time	retention_time_window	charge	mass_to_charge	spectra_ref	peptide_abundance_study_variable[0]	peptide_abundance_stdev_study_variable[0]	peptide_abundance_std_error_study_variable[0]
-PEP	DSFDIIK	null															
-PEP	LLESEECR	null															
-PEP	LVTDLTK	null															
-PEP	QLELEKQLEK	null															
-PEP	SLSAIRER	null															
-PEP	TLGPWGQR	null															
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/single/combined/txt/peptides.txt
--- a/test-data/single/combined/txt/peptides.txt	Thu Aug 15 08:09:00 2019 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,7 +0,0 @@
-Sequence	N-term cleavage window	C-term cleavage window	Amino acid before	First amino acid	Second amino acid	Second last amino acid	Last amino acid	Amino acid after	A Count	R Count	N Count	D Count	C Count	Q Count	E Count	G Count	H Count	I Count	L Count	K Count	M Count	F Count	P Count	S Count	T Count	W Count	Y Count	V Count	U Count	O Count	Length	Missed cleavages	Mass	Proteins	Leading razor protein	Start position	End position	Unique (Groups)	Unique (Proteins)	Charges	PEP	Score	Experiment BSA_min_23.mzXML	Intensity	Intensity BSA_min_23.mzXML	Reverse	Potential contaminant	id	Protein group IDs	Mod. peptide IDs	Evidence IDs	MS/MS IDs	Best MS/MS	Oxidation (M) site IDs	MS/MS Count
-DSFDIIK	NHADIIFDITDGNLRDSFDIIKRYMDGMTV	DITDGNLRDSFDIIKRYMDGMTVGVVRQVR	R	D	S	I	K	R	0	0	0	2	0	0	0	0	0	2	0	1	0	1	0	1	0	0	0	0	0	0	7	0	836.42798	CON__ENSEMBL:ENSBTAP00000016046	CON__ENSEMBL:ENSBTAP00000016046	646	652	yes	yes	2	0.010549	0	1	768320	768320		+	0	2	0	0	0	0		1
-LLESEECR	SLKLALDMEIATYRKLLESEECRMSGEYPN	EIATYRKLLESEECRMSGEYPNSVSISVIS	K	L	L	C	R	M	0	1	0	0	1	0	3	0	0	0	2	0	0	0	0	1	0	0	0	0	0	0	8	0	1034.4703	CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5	CON__Q14CN4-1	430	437	yes	no	2	0.0075205	1.6313	1	0	0		+	1	5	1	1	1	1		1
-LVTDLTK	LSQKFPKAEFVEVTKLVTDLTKVHKECCHG	AEFVEVTKLVTDLTKVHKECCHGDLLECAD	K	L	V	T	K	V	0	0	0	1	0	0	0	0	0	0	2	1	0	0	0	0	2	0	0	1	0	0	7	0	788.46437	CON__P02769;bsa;CON__P02768-1	CON__P02769	257	263	yes	no	2	0.0046553	0	1	0	0		+	2	0	2	2	2	2		1
-QLELEKQLEK	QERKERERQEQERKRQLELEKQLEKQRELE	QERKRQLELEKQLEKQRELERQREEERRKE	R	Q	L	E	K	Q	0	0	0	0	0	2	3	0	0	0	3	2	0	0	0	0	0	0	0	0	0	0	10	1	1256.6976	CON__ENSEMBL:ENSBTAP00000001528	CON__ENSEMBL:ENSBTAP00000001528	408	417	yes	yes	3	0.011549	0	1	57554	57554		+	3	1	3	3	3	3		0
-SLSAIRER	RLAVYQAGASEGAERSLSAIRERFGPLVEQ	ASEGAERSLSAIRERFGPLVEQGQSRAATL	R	S	L	E	R	F	1	2	0	0	0	0	1	0	0	1	1	0	0	0	0	2	0	0	0	0	0	0	8	1	930.52468	CON__Q03247	CON__Q03247	190	197	yes	yes	2	0.011549	0	1	33499	33499		+	4	4	4	4	4	4		0
-TLGPWGQR	LRPLLLALLLASACRTLGPWGQRDDGGGEP	LLASACRTLGPWGQRDDGGGEPESMEPRWG	R	T	L	Q	R	D	0	1	0	0	0	1	0	2	0	0	1	0	0	0	1	0	1	1	0	0	0	0	8	0	913.477	CON__ENSEMBL:ENSBTAP00000018574	CON__ENSEMBL:ENSBTAP00000018574	20	27	yes	yes	2	0.01108	0	1	61894	61894		+	5	3	5	5	5	5		1
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/single/combined/txt/proteinGroups.txt
--- a/test-data/single/combined/txt/proteinGroups.txt	Thu Aug 15 08:09:00 2019 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,7 +0,0 @@
-Protein IDs	Majority protein IDs	Peptide counts (all)	Peptide counts (razor+unique)	Peptide counts (unique)	Fasta headers	Number of proteins	Peptides	Razor + unique peptides	Unique peptides	Peptides BSA_min_23.mzXML	Razor + unique peptides BSA_min_23.mzXML	Unique peptides BSA_min_23.mzXML	Sequence coverage [%]	Unique + razor sequence coverage [%]	Unique sequence coverage [%]	Mol. weight [kDa]	Sequence length	Sequence lengths	Q-value	Score	Sequence coverage BSA_min_23.mzXML [%]	Intensity	Intensity BSA_min_23.mzXML	MS/MS count	Only identified by site	Reverse	Potential contaminant	id	Peptide IDs	Peptide is razor	Mod. peptide IDs	Evidence IDs	MS/MS IDs	Best MS/MS	Oxidation (M) site IDs	Oxidation (M) site positions
-CON__P02769;bsa;CON__P02768-1	CON__P02769;bsa;CON__P02768-1	1;1;1	1;1;1	1;1;1	;bsa sp|P02769|ALBU_BOVIN Serum albumin OS=Bos taurus OX=9913 GN=ALB PE=1 SV=4;	3	1	1	1	1	1	1	1.2	1.2	1.2	69.293	607	607;607;609	0	6.3321	1.2	0	0	1			+	0	2	True	2	2	2	2		
-CON__ENSEMBL:ENSBTAP00000001528	CON__ENSEMBL:ENSBTAP00000001528	1	1	1		1	1	1	1	1	1	1	0.8	0.8	0.8	137.98	1222	1222	0	5.9375	0.8	57554	57554	0			+	1	3	True	3	3	3	3		
-CON__ENSEMBL:ENSBTAP00000016046	CON__ENSEMBL:ENSBTAP00000016046	1	1	1		1	1	1	1	1	1	1	1	1	1	77.456	706	706	0	5.9768	1	768320	768320	1			+	2	0	True	0	0	0	0		
-CON__ENSEMBL:ENSBTAP00000018574	CON__ENSEMBL:ENSBTAP00000018574	1	1	1		1	1	1	1	1	1	1	1.6	1.6	1.6	55.207	496	496	0	5.9554	1.6	61894	61894	1			+	3	5	True	5	5	5	5		
-CON__Q03247	CON__Q03247	1	1	1		1	1	1	1	1	1	1	2.5	2.5	2.5	35.979	316	316	0	5.9375	2.5	33499	33499	0			+	4	4	True	4	4	4	4		
-CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5	CON__Q14CN4-1;CON__Q3SY84;CON__Q9R0H5	1;1;1	1;1;1	1;1;1	;;	3	1	1	1	1	1	1	1.6	1.6	1.6	55.877	511	511;523;524	0	6.1238	1.6	0	0	1			+	5	1	True	1	1	1	1		
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/single/combined/txt/summary.txt
--- a/test-data/single/combined/txt/summary.txt	Thu Aug 15 08:09:00 2019 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,3 +0,0 @@
-Raw file	Experiment	Enzyme	Enzyme mode	Enzyme first search	Enzyme mode first search	Use enzyme first search	Variable modifications	Fixed modifications	Multi modifications	Variable modifications first search	Use variable modifications first search	Requantify	Multiplicity	Max. missed cleavages	Labels0	LC-MS run type	Time-dependent recalibration	MS	MS/MS	MS3	MS/MS Submitted	MS/MS Submitted (SIL)	MS/MS Submitted (ISO)	MS/MS Submitted (PEAK)	MS/MS Identified	MS/MS Identified (SIL)	MS/MS Identified (ISO)	MS/MS Identified (PEAK)	MS/MS Identified [%]	MS/MS Identified (SIL) [%]	MS/MS Identified (ISO) [%]	MS/MS Identified (PEAK) [%]	Peptide Sequences Identified	Peaks	Peaks Sequenced	Peaks Sequenced [%]	Peaks Repeatedly Sequenced	Peaks Repeatedly Sequenced [%]	Isotope Patterns	Isotope Patterns Sequenced	Isotope Patterns Sequenced (z>1)	Isotope Patterns Sequenced [%]	Isotope Patterns Sequenced (z>1) [%]	Isotope Patterns Repeatedly Sequenced	Isotope Patterns Repeatedly Sequenced [%]	Recalibrated	Av. Absolute Mass Deviation [ppm]	Mass Standard Deviation [ppm]	Av. Absolute Mass Deviation [mDa]	Mass Standard Deviation [mDa]
-BSA_min_23	BSA_min_23.mzXML	Trypsin/P	Specific			False	Oxidation (M)	Carbamidomethyl (C)			False	False	1	1		Standard		19	81	0	111	51	0	60	4	2	0	2	3.6	3.92	NaN	3.33	6	1201	57	4.75	4	7.02	165	39	35	23.64	26.52	10	25.64	+	0.41463	0.43436	0.1789	0.18539
-Total																		19	81	0	111	51	0	60	4	2	0	2	3.6	3.92	NaN	3.33	6	1201					165	39	35	23.64	26.52	10	25.64		0.41463	0.43436	0.1789	0.18539
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/single/mqpar.xml
--- a/test-data/single/mqpar.xml	Thu Aug 15 08:09:00 2019 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,426 +0,0 @@
-<?xml version="1.0" encoding="utf-8"?>
-<MaxQuantParams xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
-   <fastaFiles>
-      <FastaFileInfo>
-         <fastaFilePath>D:\fasta\bsa.fasta</fastaFilePath>
-         <identifierParseRule>>([^\s]*)</identifierParseRule>
-         <descriptionParseRule>>(.*)</descriptionParseRule>
-         <taxonomyParseRule></taxonomyParseRule>
-         <variationParseRule></variationParseRule>
-         <modificationParseRule></modificationParseRule>
-         <taxonomyId></taxonomyId>
-      </FastaFileInfo>
-   </fastaFiles>
-   <fastaFilesProteogenomics>
-   </fastaFilesProteogenomics>
-   <fastaFilesFirstSearch>
-   </fastaFilesFirstSearch>
-   <fixedSearchFolder></fixedSearchFolder>
-   <andromedaCacheSize>350000</andromedaCacheSize>
-   <advancedRatios>True</advancedRatios>
-   <pvalThres>0.005</pvalThres>
-   <neucodeRatioBasedQuantification>False</neucodeRatioBasedQuantification>
-   <neucodeStabilizeLargeRatios>False</neucodeStabilizeLargeRatios>
-   <rtShift>False</rtShift>
-   <separateLfq>False</separateLfq>
-   <lfqStabilizeLargeRatios>True</lfqStabilizeLargeRatios>
-   <lfqRequireMsms>True</lfqRequireMsms>
-   <decoyMode>revert</decoyMode>
-   <boxCarMode>all</boxCarMode>
-   <includeContaminants>True</includeContaminants>
-   <maxPeptideMass>4600</maxPeptideMass>
-   <epsilonMutationScore>True</epsilonMutationScore>
-   <mutatedPeptidesSeparately>True</mutatedPeptidesSeparately>
-   <proteogenomicPeptidesSeparately>True</proteogenomicPeptidesSeparately>
-   <minDeltaScoreUnmodifiedPeptides>0</minDeltaScoreUnmodifiedPeptides>
-   <minDeltaScoreModifiedPeptides>6</minDeltaScoreModifiedPeptides>
-   <minScoreUnmodifiedPeptides>0</minScoreUnmodifiedPeptides>
-   <minScoreModifiedPeptides>40</minScoreModifiedPeptides>
-   <secondPeptide>True</secondPeptide>
-   <matchBetweenRuns>False</matchBetweenRuns>
-   <matchUnidentifiedFeatures>False</matchUnidentifiedFeatures>
-   <matchBetweenRunsFdr>False</matchBetweenRunsFdr>
-   <dependentPeptides>False</dependentPeptides>
-   <dependentPeptideFdr>0</dependentPeptideFdr>
-   <dependentPeptideMassBin>0</dependentPeptideMassBin>
-   <dependentPeptidesBetweenRuns>False</dependentPeptidesBetweenRuns>
-   <dependentPeptidesWithinExperiment>False</dependentPeptidesWithinExperiment>
-   <dependentPeptidesWithinParameterGroup>False</dependentPeptidesWithinParameterGroup>
-   <dependentPeptidesRestrictFractions>False</dependentPeptidesRestrictFractions>
-   <dependentPeptidesFractionDifference>0</dependentPeptidesFractionDifference>
-   <msmsConnection>False</msmsConnection>
-   <ibaq>False</ibaq>
-   <top3>False</top3>
-   <independentEnzymes>False</independentEnzymes>
-   <useDeltaScore>False</useDeltaScore>
-   <splitProteinGroupsByTaxonomy>False</splitProteinGroupsByTaxonomy>
-   <taxonomyLevel>Species</taxonomyLevel>
-   <avalon>False</avalon>
-   <nModColumns>3</nModColumns>
-   <ibaqLogFit>False</ibaqLogFit>
-   <razorProteinFdr>True</razorProteinFdr>
-   <deNovoSequencing>False</deNovoSequencing>
-   <deNovoVarMods>True</deNovoVarMods>
-   <massDifferenceSearch>False</massDifferenceSearch>
-   <isotopeCalc>False</isotopeCalc>
-   <writePeptidesForSpectrumFile></writePeptidesForSpectrumFile>
-   <intensityPredictionsFile>
-   </intensityPredictionsFile>
-   <minPepLen>7</minPepLen>
-   <psmFdrCrosslink>0.01</psmFdrCrosslink>
-   <peptideFdr>0.01</peptideFdr>
-   <proteinFdr>0.01</proteinFdr>
-   <siteFdr>0.01</siteFdr>
-   <minPeptideLengthForUnspecificSearch>8</minPeptideLengthForUnspecificSearch>
-   <maxPeptideLengthForUnspecificSearch>25</maxPeptideLengthForUnspecificSearch>
-   <useNormRatiosForOccupancy>True</useNormRatiosForOccupancy>
-   <minPeptides>1</minPeptides>
-   <minRazorPeptides>1</minRazorPeptides>
-   <minUniquePeptides>0</minUniquePeptides>
-   <useCounterparts>False</useCounterparts>
-   <advancedSiteIntensities>True</advancedSiteIntensities>
-   <customProteinQuantification>False</customProteinQuantification>
-   <customProteinQuantificationFile></customProteinQuantificationFile>
-   <minRatioCount>2</minRatioCount>
-   <restrictProteinQuantification>True</restrictProteinQuantification>
-   <restrictMods>
-      <string>Oxidation (M)</string>
-   </restrictMods>
-   <matchingTimeWindow>0</matchingTimeWindow>
-   <alignmentTimeWindow>0</alignmentTimeWindow>
-   <numberOfCandidatesMultiplexedMsms>25</numberOfCandidatesMultiplexedMsms>
-   <numberOfCandidatesMsms>15</numberOfCandidatesMsms>
-   <compositionPrediction>0</compositionPrediction>
-   <quantMode>1</quantMode>
-   <massDifferenceMods>
-   </massDifferenceMods>
-   <mainSearchMaxCombinations>200</mainSearchMaxCombinations>
-   <writeMsScansTable>False</writeMsScansTable>
-   <writeMsmsScansTable>True</writeMsmsScansTable>
-   <writePasefMsmsScansTable>True</writePasefMsmsScansTable>
-   <writeAccumulatedPasefMsmsScansTable>True</writeAccumulatedPasefMsmsScansTable>
-   <writeMs3ScansTable>True</writeMs3ScansTable>
-   <writeAllPeptidesTable>True</writeAllPeptidesTable>
-   <writeMzRangeTable>True</writeMzRangeTable>
-   <writeMzTab>True</writeMzTab>
-   <disableMd5>False</disableMd5>
-   <cacheBinInds>True</cacheBinInds>
-   <etdIncludeB>False</etdIncludeB>
-   <complementaryTmtCollapseNplets>True</complementaryTmtCollapseNplets>
-   <stackPeaks>False</stackPeaks>
-   <ms2PrecursorShift>0</ms2PrecursorShift>
-   <complementaryIonPpm>20</complementaryIonPpm>
-   <variationParseRule></variationParseRule>
-   <variationMode>none</variationMode>
-   <useSeriesReporters>False</useSeriesReporters>
-   <name>session1</name>
-   <maxQuantVersion>1.6.3.4</maxQuantVersion>
-   <tempFolder></tempFolder>
-   <pluginFolder></pluginFolder>
-   <numThreads>1</numThreads>
-   <emailAddress></emailAddress>
-   <smtpHost></smtpHost>
-   <emailFromAddress></emailFromAddress>
-   <fixedCombinedFolder></fixedCombinedFolder>
-   <fullMinMz>-1.79589544172745E+308</fullMinMz>
-   <fullMaxMz>1.79589544172745E+308</fullMaxMz>
-   <sendEmail>False</sendEmail>
-   <ionCountIntensities>False</ionCountIntensities>
-   <verboseColumnHeaders>False</verboseColumnHeaders>
-   <calcPeakProperties>False</calcPeakProperties>
-   <showCentroidMassDifferences>False</showCentroidMassDifferences>
-   <showIsotopeMassDifferences>False</showIsotopeMassDifferences>
-   <useDotNetCore>False</useDotNetCore>
-   <filePaths>
-      <string>D:\shared\dglaetzer\maxquant_tool\test1\BSA_min_23.mzXML</string>
-   </filePaths>
-   <experiments>
-      <string>BSA_min_23.mzXML</string>
-   </experiments>
-   <fractions>
-      <short>32767</short>
-   </fractions>
-   <ptms>
-      <boolean>False</boolean>
-   </ptms>
-   <paramGroupIndices>
-      <int>0</int>
-   </paramGroupIndices>
-   <referenceChannel>
-      <string></string>
-   </referenceChannel>
-   <parameterGroups>
-      <parameterGroup>
-         <msInstrument>0</msInstrument>
-         <maxCharge>7</maxCharge>
-         <minPeakLen>2</minPeakLen>
-         <useMs1Centroids>False</useMs1Centroids>
-         <useMs2Centroids>False</useMs2Centroids>
-         <cutPeaks>True</cutPeaks>
-         <gapScans>1</gapScans>
-         <minTime>NaN</minTime>
-         <maxTime>NaN</maxTime>
-         <matchType>MatchFromAndTo</matchType>
-         <intensityDetermination>0</intensityDetermination>
-         <centroidMatchTol>8</centroidMatchTol>
-         <centroidMatchTolInPpm>True</centroidMatchTolInPpm>
-         <centroidHalfWidth>35</centroidHalfWidth>
-         <centroidHalfWidthInPpm>True</centroidHalfWidthInPpm>
-         <valleyFactor>1.4</valleyFactor>
-         <isotopeValleyFactor>1.2</isotopeValleyFactor>
-         <advancedPeakSplitting>False</advancedPeakSplitting>
-         <intensityThreshold>0</intensityThreshold>
-         <labelMods>
-            <string></string>
-         </labelMods>
-         <lcmsRunType>Standard</lcmsRunType>
-         <reQuantify>False</reQuantify>
-         <lfqMode>0</lfqMode>
-         <lfqSkipNorm>False</lfqSkipNorm>
-         <lfqMinEdgesPerNode>3</lfqMinEdgesPerNode>
-         <lfqAvEdgesPerNode>6</lfqAvEdgesPerNode>
-         <lfqMaxFeatures>100000</lfqMaxFeatures>
-         <neucodeMaxPpm>0</neucodeMaxPpm>
-         <neucodeResolution>0</neucodeResolution>
-         <neucodeResolutionInMda>False</neucodeResolutionInMda>
-         <neucodeInSilicoLowRes>False</neucodeInSilicoLowRes>
-         <fastLfq>True</fastLfq>
-         <lfqRestrictFeatures>False</lfqRestrictFeatures>
-         <lfqMinRatioCount>2</lfqMinRatioCount>
-         <maxLabeledAa>0</maxLabeledAa>
-         <maxNmods>5</maxNmods>
-         <maxMissedCleavages>1</maxMissedCleavages>
-         <multiplicity>1</multiplicity>
-         <enzymeMode>0</enzymeMode>
-         <complementaryReporterType>0</complementaryReporterType>
-         <reporterNormalization>0</reporterNormalization>
-         <neucodeIntensityMode>0</neucodeIntensityMode>
-         <fixedModifications>
-            <string>Carbamidomethyl (C)</string>
-         </fixedModifications>
-         <enzymes>
-            <string>Trypsin/P</string>
-         </enzymes>
-         <enzymesFirstSearch>
-         </enzymesFirstSearch>
-         <enzymeModeFirstSearch>0</enzymeModeFirstSearch>
-         <useEnzymeFirstSearch>False</useEnzymeFirstSearch>
-         <useVariableModificationsFirstSearch>False</useVariableModificationsFirstSearch>
-         <variableModifications>
-            <string>Oxidation (M)</string>
-         </variableModifications>
-         <useMultiModification>False</useMultiModification>
-         <multiModifications>
-         </multiModifications>
-         <isobaricLabels>
-         </isobaricLabels>
-         <neucodeLabels>
-         </neucodeLabels>
-         <variableModificationsFirstSearch>
-         </variableModificationsFirstSearch>
-         <hasAdditionalVariableModifications>False</hasAdditionalVariableModifications>
-         <additionalVariableModifications>
-         </additionalVariableModifications>
-         <additionalVariableModificationProteins>
-         </additionalVariableModificationProteins>
-         <doMassFiltering>True</doMassFiltering>
-         <firstSearchTol>20</firstSearchTol>
-         <mainSearchTol>4.5</mainSearchTol>
-         <searchTolInPpm>True</searchTolInPpm>
-         <isotopeMatchTol>2</isotopeMatchTol>
-         <isotopeMatchTolInPpm>True</isotopeMatchTolInPpm>
-         <isotopeTimeCorrelation>0.6</isotopeTimeCorrelation>
-         <theorIsotopeCorrelation>0.6</theorIsotopeCorrelation>
-         <checkMassDeficit>True</checkMassDeficit>
-         <recalibrationInPpm>True</recalibrationInPpm>
-         <intensityDependentCalibration>False</intensityDependentCalibration>
-         <minScoreForCalibration>70</minScoreForCalibration>
-         <matchLibraryFile>False</matchLibraryFile>
-         <libraryFile></libraryFile>
-         <matchLibraryMassTolPpm>0</matchLibraryMassTolPpm>
-         <matchLibraryTimeTolMin>0</matchLibraryTimeTolMin>
-         <matchLabelTimeTolMin>0</matchLabelTimeTolMin>
-         <reporterMassTolerance>NaN</reporterMassTolerance>
-         <reporterPif>NaN</reporterPif>
-         <filterPif>False</filterPif>
-         <reporterFraction>NaN</reporterFraction>
-         <reporterBasePeakRatio>NaN</reporterBasePeakRatio>
-         <timsHalfWidth>0</timsHalfWidth>
-         <timsStep>0</timsStep>
-         <timsResolution>0</timsResolution>
-         <timsMinMsmsIntensity>0</timsMinMsmsIntensity>
-         <timsRemovePrecursor>True</timsRemovePrecursor>
-         <timsIsobaricLabels>False</timsIsobaricLabels>
-         <timsCollapseMsms>True</timsCollapseMsms>
-         <crosslinkSearch>False</crosslinkSearch>
-         <crossLinker></crossLinker>
-         <minMatchXl>0</minMatchXl>
-         <minPairedPepLenXl>6</minPairedPepLenXl>
-         <crosslinkOnlyIntraProtein>False</crosslinkOnlyIntraProtein>
-         <crosslinkMaxMonoUnsaturated>0</crosslinkMaxMonoUnsaturated>
-         <crosslinkMaxMonoSaturated>0</crosslinkMaxMonoSaturated>
-         <crosslinkMaxDiUnsaturated>0</crosslinkMaxDiUnsaturated>
-         <crosslinkMaxDiSaturated>0</crosslinkMaxDiSaturated>
-         <crosslinkUseSeparateFasta>False</crosslinkUseSeparateFasta>
-         <crosslinkCleaveModifications>
-         </crosslinkCleaveModifications>
-         <crosslinkFastaFiles>
-         </crosslinkFastaFiles>
-         <crosslinkMode>PeptidesWithCleavedLinker</crosslinkMode>
-         <peakRefinement>False</peakRefinement>
-         <isobaricSumOverWindow>True</isobaricSumOverWindow>
-      </parameterGroup>
-   </parameterGroups>
-   <msmsParamsArray>
-      <msmsParams>
-         <Name>FTMS</Name>
-         <MatchTolerance>20</MatchTolerance>
-         <MatchToleranceInPpm>True</MatchToleranceInPpm>
-         <DeisotopeTolerance>7</DeisotopeTolerance>
-         <DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm>
-         <DeNovoTolerance>10</DeNovoTolerance>
-         <DeNovoToleranceInPpm>True</DeNovoToleranceInPpm>
-         <Deisotope>True</Deisotope>
-         <Topx>12</Topx>
-         <TopxInterval>100</TopxInterval>
-         <HigherCharges>True</HigherCharges>
-         <IncludeWater>True</IncludeWater>
-         <IncludeAmmonia>True</IncludeAmmonia>
-         <DependentLosses>True</DependentLosses>
-         <Recalibration>False</Recalibration>
-      </msmsParams>
-      <msmsParams>
-         <Name>ITMS</Name>
-         <MatchTolerance>0.5</MatchTolerance>
-         <MatchToleranceInPpm>False</MatchToleranceInPpm>
-         <DeisotopeTolerance>0.15</DeisotopeTolerance>
-         <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm>
-         <DeNovoTolerance>0.25</DeNovoTolerance>
-         <DeNovoToleranceInPpm>False</DeNovoToleranceInPpm>
-         <Deisotope>False</Deisotope>
-         <Topx>8</Topx>
-         <TopxInterval>100</TopxInterval>
-         <HigherCharges>True</HigherCharges>
-         <IncludeWater>True</IncludeWater>
-         <IncludeAmmonia>True</IncludeAmmonia>
-         <DependentLosses>True</DependentLosses>
-         <Recalibration>False</Recalibration>
-      </msmsParams>
-      <msmsParams>
-         <Name>TOF</Name>
-         <MatchTolerance>40</MatchTolerance>
-         <MatchToleranceInPpm>True</MatchToleranceInPpm>
-         <DeisotopeTolerance>0.01</DeisotopeTolerance>
-         <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm>
-         <DeNovoTolerance>0.02</DeNovoTolerance>
-         <DeNovoToleranceInPpm>False</DeNovoToleranceInPpm>
-         <Deisotope>True</Deisotope>
-         <Topx>10</Topx>
-         <TopxInterval>100</TopxInterval>
-         <HigherCharges>True</HigherCharges>
-         <IncludeWater>True</IncludeWater>
-         <IncludeAmmonia>True</IncludeAmmonia>
-         <DependentLosses>True</DependentLosses>
-         <Recalibration>False</Recalibration>
-      </msmsParams>
-      <msmsParams>
-         <Name>Unknown</Name>
-         <MatchTolerance>0.5</MatchTolerance>
-         <MatchToleranceInPpm>False</MatchToleranceInPpm>
-         <DeisotopeTolerance>0.15</DeisotopeTolerance>
-         <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm>
-         <DeNovoTolerance>0.25</DeNovoTolerance>
-         <DeNovoToleranceInPpm>False</DeNovoToleranceInPpm>
-         <Deisotope>False</Deisotope>
-         <Topx>8</Topx>
-         <TopxInterval>100</TopxInterval>
-         <HigherCharges>True</HigherCharges>
-         <IncludeWater>True</IncludeWater>
-         <IncludeAmmonia>True</IncludeAmmonia>
-         <DependentLosses>True</DependentLosses>
-         <Recalibration>False</Recalibration>
-      </msmsParams>
-   </msmsParamsArray>
-   <fragmentationParamsArray>
-      <fragmentationParams>
-         <Name>CID</Name>
-         <Connected>False</Connected>
-         <ConnectedScore0>1</ConnectedScore0>
-         <ConnectedScore1>1</ConnectedScore1>
-         <ConnectedScore2>1</ConnectedScore2>
-         <InternalFragments>False</InternalFragments>
-         <InternalFragmentWeight>1</InternalFragmentWeight>
-         <InternalFragmentAas>KRH</InternalFragmentAas>
-      </fragmentationParams>
-      <fragmentationParams>
-         <Name>HCD</Name>
-         <Connected>False</Connected>
-         <ConnectedScore0>1</ConnectedScore0>
-         <ConnectedScore1>1</ConnectedScore1>
-         <ConnectedScore2>1</ConnectedScore2>
-         <InternalFragments>False</InternalFragments>
-         <InternalFragmentWeight>1</InternalFragmentWeight>
-         <InternalFragmentAas>KRH</InternalFragmentAas>
-      </fragmentationParams>
-      <fragmentationParams>
-         <Name>ETD</Name>
-         <Connected>False</Connected>
-         <ConnectedScore0>1</ConnectedScore0>
-         <ConnectedScore1>1</ConnectedScore1>
-         <ConnectedScore2>1</ConnectedScore2>
-         <InternalFragments>False</InternalFragments>
-         <InternalFragmentWeight>1</InternalFragmentWeight>
-         <InternalFragmentAas>KRH</InternalFragmentAas>
-      </fragmentationParams>
-      <fragmentationParams>
-         <Name>PQD</Name>
-         <Connected>False</Connected>
-         <ConnectedScore0>1</ConnectedScore0>
-         <ConnectedScore1>1</ConnectedScore1>
-         <ConnectedScore2>1</ConnectedScore2>
-         <InternalFragments>False</InternalFragments>
-         <InternalFragmentWeight>1</InternalFragmentWeight>
-         <InternalFragmentAas>KRH</InternalFragmentAas>
-      </fragmentationParams>
-      <fragmentationParams>
-         <Name>ETHCD</Name>
-         <Connected>False</Connected>
-         <ConnectedScore0>1</ConnectedScore0>
-         <ConnectedScore1>1</ConnectedScore1>
-         <ConnectedScore2>1</ConnectedScore2>
-         <InternalFragments>False</InternalFragments>
-         <InternalFragmentWeight>1</InternalFragmentWeight>
-         <InternalFragmentAas>KRH</InternalFragmentAas>
-      </fragmentationParams>
-      <fragmentationParams>
-         <Name>ETCID</Name>
-         <Connected>False</Connected>
-         <ConnectedScore0>1</ConnectedScore0>
-         <ConnectedScore1>1</ConnectedScore1>
-         <ConnectedScore2>1</ConnectedScore2>
-         <InternalFragments>False</InternalFragments>
-         <InternalFragmentWeight>1</InternalFragmentWeight>
-         <InternalFragmentAas>KRH</InternalFragmentAas>
-      </fragmentationParams>
-      <fragmentationParams>
-         <Name>UVPD</Name>
-         <Connected>False</Connected>
-         <ConnectedScore0>1</ConnectedScore0>
-         <ConnectedScore1>1</ConnectedScore1>
-         <ConnectedScore2>1</ConnectedScore2>
-         <InternalFragments>False</InternalFragments>
-         <InternalFragmentWeight>1</InternalFragmentWeight>
-         <InternalFragmentAas>KRH</InternalFragmentAas>
-      </fragmentationParams>
-      <fragmentationParams>
-         <Name>Unknown</Name>
-         <Connected>False</Connected>
-         <ConnectedScore0>1</ConnectedScore0>
-         <ConnectedScore1>1</ConnectedScore1>
-         <ConnectedScore2>1</ConnectedScore2>
-         <InternalFragments>False</InternalFragments>
-         <InternalFragmentWeight>1</InternalFragmentWeight>
-         <InternalFragmentAas>KRH</InternalFragmentAas>
-      </fragmentationParams>
-   </fragmentationParamsArray>
-</MaxQuantParams>
diff -r 175e062b6a17 -r dcd39bcc7481 test-data/template.xml
--- a/test-data/template.xml	Thu Aug 15 08:09:00 2019 -0400
+++ b/test-data/template.xml	Sat Apr 11 11:49:19 2020 -0400
@@ -2,7 +2,7 @@
 <MaxQuantParams xmlns:xsd="http://www.w3.org/2001/XMLSchema" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
    <fastaFiles>
       <FastaFileInfo>
-         <fastaFilePath></fastaFilePath>
+         <fastaFilePath>example.fasta</fastaFilePath>
          <identifierParseRule>>(.*)</identifierParseRule>
          <descriptionParseRule></descriptionParseRule>
          <taxonomyParseRule></taxonomyParseRule>
@@ -88,8 +88,9 @@
       <string>Acetyl (Protein N-term)</string>
    </restrictMods>
    <matchingTimeWindow>0</matchingTimeWindow>
+   <matchingIonMobilityWindow>0</matchingIonMobilityWindow>
    <alignmentTimeWindow>0</alignmentTimeWindow>
-   <numberOfCandidatesMultiplexedMsms>25</numberOfCandidatesMultiplexedMsms>
+   <alignmentIonMobilityWindow>0</alignmentIonMobilityWindow>
    <numberOfCandidatesMsms>15</numberOfCandidatesMsms>
    <compositionPrediction>0</compositionPrediction>
    <quantMode>1</quantMode>
@@ -107,15 +108,13 @@
    <disableMd5>False</disableMd5>
    <cacheBinInds>True</cacheBinInds>
    <etdIncludeB>False</etdIncludeB>
-   <complementaryTmtCollapseNplets>True</complementaryTmtCollapseNplets>
-   <stackPeaks>False</stackPeaks>
    <ms2PrecursorShift>0</ms2PrecursorShift>
    <complementaryIonPpm>20</complementaryIonPpm>
    <variationParseRule></variationParseRule>
    <variationMode>none</variationMode>
    <useSeriesReporters>False</useSeriesReporters>
    <name>templateSession</name>
-   <maxQuantVersion>1.6.3.4</maxQuantVersion>
+   <maxQuantVersion>1.6.10.43</maxQuantVersion>
    <tempFolder></tempFolder>
    <pluginFolder></pluginFolder>
    <numThreads>1</numThreads>
@@ -150,11 +149,14 @@
    <referenceChannel>
       <string></string>
    </referenceChannel>
+   <intensPred>False</intensPred>
+   <intensPredModelReTrain>False</intensPredModelReTrain>
    <parameterGroups>
       <parameterGroup>
          <msInstrument>0</msInstrument>
          <maxCharge>7</maxCharge>
          <minPeakLen>2</minPeakLen>
+         <diaMinPeakLen>2</diaMinPeakLen>
          <useMs1Centroids>False</useMs1Centroids>
          <useMs2Centroids>False</useMs2Centroids>
          <cutPeaks>True</cutPeaks>
@@ -263,14 +265,35 @@
          <crosslinkMaxMonoSaturated>0</crosslinkMaxMonoSaturated>
          <crosslinkMaxDiUnsaturated>0</crosslinkMaxDiUnsaturated>
          <crosslinkMaxDiSaturated>0</crosslinkMaxDiSaturated>
-         <crosslinkUseSeparateFasta>False</crosslinkUseSeparateFasta>
-         <crosslinkCleaveModifications>
-         </crosslinkCleaveModifications>
+         <crosslinkModifications>
+         </crosslinkModifications>
          <crosslinkFastaFiles>
          </crosslinkFastaFiles>
-         <crosslinkMode>PeptidesWithCleavedLinker</crosslinkMode>
+         <crosslinkSites>
+         </crosslinkSites>
+         <crosslinkNetworkFiles>
+         </crosslinkNetworkFiles>
+         <crosslinkMode></crosslinkMode>
          <peakRefinement>False</peakRefinement>
          <isobaricSumOverWindow>True</isobaricSumOverWindow>
+         <isobaricWeightExponent>0.75</isobaricWeightExponent>
+         <diaLibraryType>0</diaLibraryType>
+         <diaLibraryPath></diaLibraryPath>
+         <diaPeptidePaths>
+         </diaPeptidePaths>
+         <diaEvidencePaths>
+         </diaEvidencePaths>
+         <diaMsmsPaths>
+         </diaMsmsPaths>
+         <diaInitialPrecMassTolPpm>20</diaInitialPrecMassTolPpm>
+         <diaInitialFragMassTolPpm>20</diaInitialFragMassTolPpm>
+         <diaCorrThresholdFeatureClustering>0.85</diaCorrThresholdFeatureClustering>
+         <diaPrecTolPpmFeatureClustering>2</diaPrecTolPpmFeatureClustering>
+         <diaFragTolPpmFeatureClustering>2</diaFragTolPpmFeatureClustering>
+         <diaScoreN>7</diaScoreN>
+         <diaMinScore>2.99</diaMinScore>
+         <diaPrecursorQuant>False</diaPrecursorQuant>
+         <diaDiaTopNFragmentsForQuant>3</diaDiaTopNFragmentsForQuant>
       </parameterGroup>
    </parameterGroups>
    <msmsParamsArray>
@@ -327,14 +350,14 @@
       </msmsParams>
       <msmsParams>
          <Name>Unknown</Name>
-         <MatchTolerance>0.5</MatchTolerance>
-         <MatchToleranceInPpm>False</MatchToleranceInPpm>
-         <DeisotopeTolerance>0.15</DeisotopeTolerance>
-         <DeisotopeToleranceInPpm>False</DeisotopeToleranceInPpm>
-         <DeNovoTolerance>0.25</DeNovoTolerance>
-         <DeNovoToleranceInPpm>False</DeNovoToleranceInPpm>
-         <Deisotope>False</Deisotope>
-         <Topx>8</Topx>
+         <MatchTolerance>20</MatchTolerance>
+         <MatchToleranceInPpm>True</MatchToleranceInPpm>
+         <DeisotopeTolerance>7</DeisotopeTolerance>
+         <DeisotopeToleranceInPpm>True</DeisotopeToleranceInPpm>
+         <DeNovoTolerance>10</DeNovoTolerance>
+         <DeNovoToleranceInPpm>True</DeNovoToleranceInPpm>
+         <Deisotope>True</Deisotope>
+         <Topx>12</Topx>
          <TopxInterval>100</TopxInterval>
          <HigherCharges>True</HigherCharges>
          <IncludeWater>True</IncludeWater>
diff -r 175e062b6a17 -r dcd39bcc7481 test_mqparam.py
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test_mqparam.py	Sat Apr 11 11:49:19 2020 -0400
@@ -0,0 +1,212 @@
+"""Tests for mqparam class. If testing a new MaxQuant version,
+create a new parameter file using '<MAXQUANT_CMD> -c ./mqpar.xml'
+"""
+
+import pytest
+import xml.etree.ElementTree as ET
+from mqparam import MQParam, ParamGroup
+
+TEMPLATE_PATH = './test-data/template.xml'
+
+
+def mk_pg_root():
+    mqpar = ET.parse(TEMPLATE_PATH).getroot()
+    return mqpar.find('.parameterGroups/parameterGroup')
+
+
+class TestParamGroup:
+    def test_list_param(self):
+        t = ParamGroup(mk_pg_root())
+        t.set_list_param('enzymes', ('test 1', 'test 2'))
+        assert len(t._root.find('enzymes')) == 2
+
+        t.set_list_param('variableModifications', ('Oxidation (M)', ))
+        assert t._root.find('variableModifications')[0].text == 'Oxidation (M)'
+
+        with pytest.raises(ValueError):
+            t.set_list_param('foo', [])
+
+    def test_simple_params(self):
+        t = ParamGroup(mk_pg_root())
+        t.set_simple_param('fastLfq', False)
+        assert t._root.find('.fastLfq').text == 'False'
+
+        with pytest.raises(ValueError):
+            t.set_simple_param('foo', 2)
+
+    def test_silac(self):
+        t = ParamGroup(mk_pg_root())
+        t.set_silac(None, None, ('Arg10', 'Lys4'))
+        assert t._root.find('.maxLabeledAa').text == '2'
+        assert t._root.find('.multiplicity').text == '2'
+        assert t._root.find('.labelMods')[1].text == 'Arg10;Lys4'
+        assert t._root.find('.labelMods')[0].text == ''
+
+    def test_isobaric_label(self):
+        t = ParamGroup(mk_pg_root())
+        t.set_isobaric_label('iTRAQ4plex-Lys114', 'iTRAQ4plex-Nter114', 0.3, 1, 1.2, 0, True)
+
+        assert len(t._root.find('isobaricLabels')) == 1
+        assert len(t._root.find('isobaricLabels')[0]) == 7
+
+        t.set_isobaric_label('iTRAQ4plex-Lys115', 'iTRAQ4plex-Nter115', 0.3, 1.0, 1.2, 0, True)
+
+        assert len(t._root.find('isobaricLabels')) == 2
+
+        tag_list = [el.tag for el in t._root.find('isobaricLabels')[1]]
+        assert tag_list == ['internalLabel', 'terminalLabel', 'correctionFactorM2',
+                            'correctionFactorM1', 'correctionFactorP1', 'correctionFactorP2',
+                            'tmtLike']
+
+        text_list = [el.text for el in t._root.find('isobaricLabels')[1]]
+        assert text_list == ['iTRAQ4plex-Lys115', 'iTRAQ4plex-Nter115',
+                             '0.3', '1', '1.2', '0', 'True']
+
+
+class TestMQParam:
+
+    def test_version(self):
+        t = MQParam(TEMPLATE_PATH)
+        assert t._root.find('maxQuantVersion').text == '1.6.10.43'
+
+    def test_validity_check(self):
+        design = {'Name': ['Test1', 'Test2'],
+                  'Fraction': ['2', 32767],
+                  'PTM': ['False', 'False'],
+                  'Experiment': ['e1', 'e1'],
+                  'paramGroup': [0, 0]}
+
+        assert MQParam._check_validity(design, 2) is None
+
+        design['Name'][0] = None
+        with pytest.raises(Exception):
+            MQParam._check_validity(design, 2)
+        design['Name'][0] = 'Test1'
+
+        design['Experiment'][0] = ''
+        with pytest.raises(ValueError):
+            MQParam._check_validity(design, 2)
+        design['Experiment'][0] = 'e1'
+
+        design['Fraction'][0] = 'foo'
+        with pytest.raises(ValueError):
+            MQParam._check_validity(design, 2)
+
+    def test_exp_design(self, tmpdir):
+        # default experimental design when None is specified
+        t = MQParam(TEMPLATE_PATH)
+        design = t._make_exp_design((0, 0), ('./Test1.mzXML', './Test2.mzXML'))
+        assert design['Name'] == ('./Test1.mzXML', './Test2.mzXML')
+        assert design['Fraction'] == ('32767', '32767')
+
+        # valid experimental design
+        e1 = tmpdir / "e1.txt"
+        e1.write('Name\tExperiment\tFraction\tPTM\nTest1\te1\nTest2\te1\t\tfalse')
+        t.exp_design = str(e1)
+        design = t._make_exp_design((0, 0), ('./Test1.mzXML', './Test2.mzXML'))
+
+        assert design == {'Name': ['./Test1.mzXML', './Test2.mzXML'],
+                          'Experiment': ['e1', 'e1'],
+                          'Fraction': ['32767', '32767'],
+                          'PTM': ['False', 'false'],
+                          'paramGroup': (0, 0)}
+
+        # invalid header
+        e2 = tmpdir / "e2.txt"
+        e2.write('Name\tExperiment\tFraction\tPTM\tparamGroup\n')
+        t.exp_design = str(e2)
+
+        with pytest.raises(Exception):
+            design = t._make_exp_design(('./Test2.mzXML',), (0,))
+
+    def test_add_infiles(self):
+        t = MQParam(TEMPLATE_PATH)
+        t.add_infiles([('/path/Test1.mzXML', '/path/Test2.mzXML'),
+                       ('/path/Test3.mzXML', '/path/Test4.mzXML')])
+
+        assert [e.text for e in t._root.find('filePaths')] == ['/path/Test1.mzXML',
+                                                               '/path/Test2.mzXML',
+                                                               '/path/Test3.mzXML',
+                                                               '/path/Test4.mzXML']
+
+        assert [e.text for e in t._root.find('paramGroupIndices')] == ['0', '0', '1', '1']
+        assert t[1]
+
+    def test_translate(self):
+        t = MQParam(TEMPLATE_PATH)
+        t.add_infiles([('/posix/path/to/Test1.mzXML',
+                        '/posix/path/to/Test2.mzXML'),
+                       ('/path/dummy.mzXML',)])  # mqparam is not designed for windows
+
+        t._root.find('filePaths')[2].text = r'D:\Windows\Path\Test3.mzXML'
+
+        t.translate(('/galaxy/working/Test3.mzXML',
+                     '/galaxy/working/Test1.mzXML',
+                     '/galaxy/working/Test2.mzXML',
+                     '/galaxy/working/Test4.mzXML'))
+
+        assert [e.text for e in t._root.find('filePaths')] == ['/galaxy/working/Test1.mzXML',
+                                                               '/galaxy/working/Test2.mzXML',
+                                                               '/galaxy/working/Test3.mzXML']
+
+    def test_fasta_files(self):
+        t = MQParam(TEMPLATE_PATH)
+        t.add_fasta_files(('test1', 'test2'),
+                          parse_rules={'identifierParseRule': r'>([^\s]*)'})
+        assert len(t._root.find('fastaFiles')) == 2
+        assert t._root.find('fastaFiles')[0].find("fastaFilePath").text == 'test1'
+        assert t._root.find('fastaFiles')[0].find("identifierParseRule").text == '>([^\\s]*)'
+
+    def test_simple_param(self):
+        t = MQParam(TEMPLATE_PATH)
+        t.set_simple_param('minUniquePeptides', 4)
+        assert t._root.find('.minUniquePeptides').text == '4'
+
+        with pytest.raises(ValueError):
+            t.set_simple_param('foo', 3)
+
+    def test_from_yaml(self, tmpdir):
+        conf1 = tmpdir / "conf1.yml"
+        conf1.write(r"""
+        numThreads: 4
+        fastaFiles: [test1.fasta,test2.fasta]
+        parseRules:
+          identifierParseRule: ^>.*\|(.*)\|.*$
+        paramGroups:
+          - files: [Test1.mzXML,Test2.mzXML] # paramGroup 0
+            fixedModifications: [mod1,mod2]
+            lfqMode: 1
+          - files: [Test3.mzXML,Test4.mzXML] # paramGroup 1
+            labelMods:
+              - []
+              - []
+              - [label1,label2]
+        """)
+
+        t = MQParam(TEMPLATE_PATH)
+        t._from_yaml(str(conf1))
+        assert t['numThreads'] == '4'
+        assert [child.text for child in t[1]._root.find('labelMods')] == ['', 'label1;label2']
+
+    def test_write(self, tmpdir):
+        yaml_conf = tmpdir / "conf.yml"
+        yaml_conf.write(r"""
+        numThreads: 4
+        fastaFiles: [test1.fasta,test2.fasta]
+        parseRules:
+          identifierParseRule: ^>.*\|(.*)\|.*$
+        paramGroups:
+          - files: [Test1.mzXML,Test2.mzXML] # paramGroup 0
+            fixedModifications: [mod1]
+            variableModifications: [mod2,mod3]
+            maxMissedCleavages: 1
+        """)
+        mqpar_out = tmpdir / "mqpar.xml"
+
+        t = MQParam(TEMPLATE_PATH, yaml=str(yaml_conf))
+        t.write(str(mqpar_out))
+
+        test = ET.parse(str(mqpar_out)).getroot()
+        assert test.find('numThreads').text == '4'
+        assert test.find('fastaFiles')[1].find('identifierParseRule').text == '^>.*\\|(.*)\\|.*$'
+        assert [el.text for el in test.find('parameterGroups')[0].find('variableModifications')] == ['mod2', 'mod3']