Mercurial > repos > galaxyp > mass_spectrometry_imaging_segmentations

changeset 8:4a62874c21a3 draft default tip

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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_segmentation commit 5feaf3d0e0da8cef1241fecc1f4d6f81324594e6
author galaxyp
date Wed, 22 Aug 2018 13:44:28 -0400
parents adfef12c7e31
children
files segmentation_tool.xml test-data/centroids_rdata.pdf test-data/classes_ssc.tabular test-data/cluster_skm.RData test-data/cluster_skm.tabular test-data/kmeans_analyze.pdf test-data/loadings_pca.tabular test-data/pca_imzml.pdf test-data/scores_pca.tabular test-data/toplabels_skm.tabular test-data/toplabels_ssc.tabular
diffstat 11 files changed, 1301 insertions(+), 1288 deletions(-) [+]
line wrap: on
line diff
--- a/segmentation_tool.xml	Fri Jul 06 14:14:27 2018 -0400
+++ b/segmentation_tool.xml	Wed Aug 22 13:44:28 2018 -0400
@@ -1,4 +1,4 @@
-<tool id="mass_spectrometry_imaging_segmentations" name="MSI segmentation" version="1.10.0.3">
+<tool id="mass_spectrometry_imaging_segmentations" name="MSI segmentation" version="1.10.0.4">
     <description>mass spectrometry imaging spatial clustering</description>
     <requirements>
         <requirement type="package" version="1.10.0">bioconductor-cardinal</requirement>
@@ -45,7 +45,11 @@
 #elif $infile.ext == 'analyze75'
     msidata = readAnalyze('infile')
 #else
-    load('infile.RData')
+    loadRData <- function(fileName){
+    load(fileName)
+    get(ls()[ls() != "fileName"])
+    }
+    msidata = loadRData('infile.RData')
 #end if
 
 
@@ -186,6 +190,8 @@
 
         #end if
 
+        ## set seed to make analysis reproducible
+        set.seed($setseed)
 
         #if str( $segm_cond.segmentationtool ) == 'pca':
             print('pca')
@@ -198,9 +204,9 @@
             method = "$segm_cond.pca_method", scale = $segm_cond.pca_scale, layout = c(ncomp, 1))
 
             ### images in pdf file
-            print(image(pca_result, main="PCA image", lattice=lattice_input, strip = strip_input, col=colourvector))
+            print(image(pca_result, main="PCA image", lattice=lattice_input, strip = strip_input, col=colourvector, ylim=c(maximumy+2, minimumy-2)))
             for (PCs in 1:$segm_cond.pca_ncomp){
-                print(image(pca_result, column = c(paste0("PC",PCs)), lattice=lattice_input, superpose = FALSE, col.regions = risk.colors(100)))}
+                print(image(pca_result, column = c(paste0("PC",PCs)), lattice=lattice_input, superpose = FALSE, col.regions = risk.colors(100), ylim=c(maximumy+2, minimumy-2)))}
             ### plots in pdf file
             print(plot(pca_result, main="PCA plot", lattice=lattice_input, col= colourvector, strip = strip_input))
             for (PCs in 1:$segm_cond.pca_ncomp){
@@ -208,10 +214,14 @@
 
             ### values in tabular files
             pcaloadings = (pca_result@resultData\$ncomp\$loadings) ### loading for each m/z value
+            pcaloadings2 = cbind(rownames(pcaloadings), pcaloadings)
+            colnames(pcaloadings2) = c("mz", colnames(pcaloadings))
             pcascores = (pca_result@resultData\$ncomp\$scores) ### scores for each pixel
+            pcascores2 = cbind(rownames(pcascores), pcascores)
+            colnames(pcascores2) = c("pixel names", colnames(pcascores))
 
-            write.table(pcaloadings, file="$mzfeatures", quote = FALSE, row.names = TRUE, col.names=NA, sep = "\t")
-            write.table(pcascores, file="$pixeloutput", quote = FALSE, row.names = TRUE, col.names=NA, sep = "\t")
+            write.table(pcaloadings2, file="$mzfeatures", quote = FALSE, row.names = FALSE, col.names=TRUE, sep = "\t")
+            write.table(pcascores2, file="$pixeloutput", quote = FALSE, row.names = FALSE, col.names=TRUE, sep = "\t")
 
             ## optional output as .RData
             #if $output_rdata:
@@ -225,7 +235,7 @@
             ##k-means
 
             skm = spatialKMeans(msidata, r=c($segm_cond.kmeans_r), k=c($segm_cond.kmeans_k), method="$segm_cond.kmeans_method")
-            print(image(skm, key=TRUE, main="K-means clustering", lattice=lattice_input, strip=strip_input, col= colourvector, layout=c(1,1)))
+            print(image(skm, key=TRUE, main="K-means clustering", lattice=lattice_input, strip=strip_input, col= colourvector, layout=c(1,1), ylim=c(maximumy+2, minimumy-2)))
 
             print(plot(skm, main="K-means plot", lattice=lattice_input, col= colourvector, strip=strip_input, layout=c($segm_cond.kmeans_layout)))
 
@@ -233,12 +243,13 @@
             for (iteration in 1:length(skm@resultData)){
                         skm_cluster = ((skm@resultData)[[iteration]]\$cluster)
             skm_clusters = cbind(skm_clusters, skm_cluster) }
-            colnames(skm_clusters) = names((skm@resultData)) 
+            skm_clusters2 = cbind(rownames(skm_clusters), skm_clusters)
+            colnames(skm_clusters2) = c("pixel names", names(skm@resultData))
 
             skm_toplabels = topLabels(skm, n=$segm_cond.kmeans_toplabels)
-    
-            write.table(skm_toplabels, file="$mzfeatures", quote = FALSE, row.names = TRUE, col.names=NA, sep = "\t")
-            write.table(skm_clusters, file="$pixeloutput", quote = FALSE, row.names = TRUE, col.names=NA, sep = "\t")
+
+            write.table(skm_toplabels, file="$mzfeatures", quote = FALSE, row.names = FALSE, col.names=TRUE, sep = "\t")
+            write.table(skm_clusters2, file="$pixeloutput", quote = FALSE, row.names = FALSE, col.names=TRUE, sep = "\t")
 
             ## optional output as .RData
             #if $output_rdata:
@@ -253,7 +264,7 @@
             ##centroids
 
             ssc = spatialShrunkenCentroids(msidata, r=c($segm_cond.centroids_r), k=c($segm_cond.centroids_k), s=c($segm_cond.centroids_s), method="$segm_cond.centroids_method")
-            print(image(ssc, key=TRUE, main="Spatial shrunken centroids", lattice=lattice_input, strip = strip_input, col= colourvector,layout=c(1,1)))
+            print(image(ssc, key=TRUE, main="Spatial shrunken centroids", lattice=lattice_input, strip = strip_input, col= colourvector,layout=c(1,1), ylim=c(maximumy+2, minimumy-2)))
             print(plot(ssc, main="Spatial shrunken centroids plot", lattice=lattice_input, col= colourvector, strip = strip_input,layout=c($segm_cond.centroids_layout)))
             print(plot(ssc, mode = "tstatistics",key = TRUE, lattice=lattice_input, layout = c($segm_cond.centroids_layout), main="t-statistics", col=colourvector))
             plot(summary(ssc), main = "Number of segments")
@@ -262,12 +273,13 @@
             for (iteration in 1:length(ssc@resultData)){
             ssc_class = ((ssc@resultData)[[iteration]]\$classes)
             ssc_classes = cbind(ssc_classes, ssc_class) }
-            colnames(ssc_classes) = names((ssc@resultData))
+            ssc_classes2 = cbind(rownames(ssc_classes), ssc_classes)
+            colnames(ssc_classes2) = c("pixel names", names(ssc@resultData))
 
             ssc_toplabels =  topLabels(ssc, n=$segm_cond.centroids_toplabels)
 
-            write.table(ssc_toplabels, file="$mzfeatures", quote = FALSE, row.names = TRUE, col.names=NA, sep = "\t")
-            write.table(ssc_classes, file="$pixeloutput", quote = FALSE, row.names = TRUE, col.names=NA, sep = "\t")
+            write.table(ssc_toplabels, file="$mzfeatures", quote = FALSE, row.names = FALSE, col.names=TRUE, sep = "\t")
+            write.table(ssc_classes2, file="$pixeloutput", quote = FALSE, row.names = FALSE, col.names=TRUE, sep = "\t")
 
             ## optional output as .RData
             #if $output_rdata:
@@ -379,6 +391,7 @@
                 </param>
             </repeat>
         <param name="output_rdata" type="boolean" display="radio" label="Results as .RData output"/>
+        <param name="setseed" type="integer" value="1" label="set seed" help="use same value to reproduce previous results"/>
     </inputs>
     <outputs>
         <data format="pdf" name="segmentationimages" from_work_dir="segmentationpdf.pdf" label = "$infile.display_name segmentation"/>
Binary file test-data/centroids_rdata.pdf has changed
--- a/test-data/classes_ssc.tabular	Fri Jul 06 14:14:27 2018 -0400
+++ b/test-data/classes_ssc.tabular	Wed Aug 22 13:44:28 2018 -0400
@@ -1,4 +1,4 @@
-	r = 1, k = 3, s = 2	r = 2, k = 3, s = 2
+pixel names	r = 1, k = 3, s = 2	r = 2, k = 3, s = 2
 x = 1, y = 1	1	1
 x = 2, y = 1	2	2
 x = 3, y = 1	2	2
Binary file test-data/cluster_skm.RData has changed
--- a/test-data/cluster_skm.tabular	Fri Jul 06 14:14:27 2018 -0400
+++ b/test-data/cluster_skm.tabular	Wed Aug 22 13:44:28 2018 -0400
@@ -1,10 +1,10 @@
-	r = 1, k = 2	r = 1, k = 3	r = 2, k = 2	r = 2, k = 3	r = 3, k = 2	r = 3, k = 3
-x = 1, y = 1	1	3	1	3	1	1
+pixel names	r = 1, k = 2	r = 1, k = 3	r = 2, k = 2	r = 2, k = 3	r = 3, k = 2	r = 3, k = 3
+x = 1, y = 1	1	1	1	1	1	3
 x = 2, y = 1	2	2	2	2	2	2
-x = 3, y = 1	2	1	1	1	1	1
-x = 1, y = 2	1	3	1	3	1	1
+x = 3, y = 1	2	3	1	3	1	3
+x = 1, y = 2	1	1	1	1	1	3
 x = 2, y = 2	2	2	2	2	2	2
-x = 3, y = 2	2	1	1	1	1	1
-x = 1, y = 3	1	3	1	3	1	3
+x = 3, y = 2	2	3	1	3	1	3
+x = 1, y = 3	1	1	1	1	1	1
 x = 2, y = 3	2	2	2	2	2	2
-x = 3, y = 3	2	1	1	1	1	1
+x = 3, y = 3	2	3	1	3	1	3
Binary file test-data/kmeans_analyze.pdf has changed
--- a/test-data/loadings_pca.tabular	Fri Jul 06 14:14:27 2018 -0400
+++ b/test-data/loadings_pca.tabular	Wed Aug 22 13:44:28 2018 -0400
@@ -1,1200 +1,1200 @@
-	PC1	PC2
-m/z = 300.08	-0.00431122859758326	0.00526403166713945
-m/z = 300.17	-0.000423445750267206	0.000517029377651584
-m/z = 300.25	4.65194104914721e-11	-4.22150066716968e-11
-m/z = 300.33	1.35108622449329e-11	-1.22607141402685e-11
-m/z = 300.42	1.05327875556794e-12	-9.55818546824256e-13
-m/z = 300.5	-8.10333136004702e-07	9.89420809475108e-07
-m/z = 300.58	-5.81387112969683e-07	7.09876570969675e-07
-m/z = 300.67	-1.0703278978058e-07	1.30687571317884e-07
-m/z = 300.75	3.42214918580322e-15	-3.09915337255164e-15
-m/z = 300.83	1.90764072894432e-15	-1.73329226842089e-15
-m/z = 300.92	3.12142851038551e-16	-2.83527661692011e-16
-m/z = 301	1.3656585759233e-18	5.31264736682766e-19
-m/z = 301.08	-6.24592344872316e-11	7.62630431761411e-11
-m/z = 301.17	-1.86468427378312e-11	2.27678906993735e-11
-m/z = 301.25	-1.54395078943368e-12	1.88517048352715e-12
-m/z = 301.33	-3.12052218099988e-19	-3.97244373430137e-19
-m/z = 301.42	-1.89903704823836e-19	-1.57169759096181e-19
-m/z = 301.5	-8.03843231302489e-19	-3.83583084342369e-19
-m/z = 301.58	-4.42691457076648e-15	5.40639048800054e-15
-m/z = 301.67	-2.61009660754888e-15	3.18104997229853e-15
-m/z = 301.75	-4.38426969699555e-16	5.35743419967843e-16
-m/z = 301.83	1.36542935950992e-18	5.36493896249926e-19
-m/z = 301.92	-4.03711932656413e-18	-1.66919171399678e-18
-m/z = 302	-1.61042996275192e-18	-8.21783337412095e-19
-m/z = 302.08	-1.06750116645735e-18	-4.71631528565016e-19
-m/z = 302.17	1.35819163216585e-18	1.06960551236743e-18
-m/z = 302.25	3.69334636239439e-19	2.75094282188811e-19
-m/z = 302.33	6.16238677010334e-19	2.59719561769406e-19
-m/z = 302.42	-9.87994863569276e-19	-4.56126853547735e-19
-m/z = 302.5	2.11856781850494e-18	8.8461919176002e-19
-m/z = 302.58	-2.03979793603573e-18	-8.7588636572893e-19
-m/z = 302.67	0.00238735543431954	0.000597177601535268
-m/z = 302.75	0.0422753281275894	0.0105748304975568
-m/z = 302.83	0.0478251463644704	0.0119630725230271
-m/z = 302.92	0.0117873138328592	0.00294850096557017
+mz	PC1	PC2
+m/z = 300.08	-0.00431122859758329	0.00526403166713949
+m/z = 300.17	-0.000423445750267208	0.00051702937765159
+m/z = 300.25	4.65194150536899e-11	-4.22150087099464e-11
+m/z = 300.33	1.35108612188122e-11	-1.22607072500498e-11
+m/z = 300.42	1.05327734584566e-12	-9.55817595104931e-13
+m/z = 300.5	-8.10333136001904e-07	9.89420809472527e-07
+m/z = 300.58	-5.81387112967612e-07	7.09876570972713e-07
+m/z = 300.67	-1.07032789780076e-07	1.3068757132126e-07
+m/z = 300.75	3.41674858316537e-15	-3.099477097213e-15
+m/z = 300.83	1.91005306978273e-15	-1.73400711936836e-15
+m/z = 300.92	3.0935599995382e-16	-2.77380998949046e-16
+m/z = 301	-6.65648097524728e-19	1.46948889144108e-18
+m/z = 301.08	-6.24592367703673e-11	7.62630392533733e-11
+m/z = 301.17	-1.86468400473725e-11	2.27678809866643e-11
+m/z = 301.25	-1.54395235623673e-12	1.88517524320557e-12
+m/z = 301.33	2.98688326385702e-19	-3.5847546239491e-19
+m/z = 301.42	8.89316552145388e-20	-1.13353541808862e-19
+m/z = 301.5	-1.80421834428211e-18	3.57218991846548e-18
+m/z = 301.58	-4.42908079426941e-15	5.40912624674897e-15
+m/z = 301.67	-2.60749760943137e-15	3.18475128356288e-15
+m/z = 301.75	-4.40359280065527e-16	5.39122160392572e-16
+m/z = 301.83	-1.38008713975051e-18	2.88001159253086e-18
+m/z = 301.92	-1.40307577498072e-19	2.77975673360276e-19
+m/z = 302	3.62667249262872e-18	-7.13083020490704e-18
+m/z = 302.08	-1.08392092461489e-18	2.3266850449903e-18
+m/z = 302.17	-1.89685413709983e-19	1.23861281753609e-19
+m/z = 302.25	1.84071706842555e-19	-4.72845441155538e-19
+m/z = 302.33	2.65842917715123e-18	-5.67839989734713e-18
+m/z = 302.42	8.89384394284211e-19	-1.78363962868074e-18
+m/z = 302.5	-7.90254051855962e-19	1.67197231393762e-18
+m/z = 302.58	-2.54806306921044e-18	4.84666648270261e-18
+m/z = 302.67	0.00238735543431953	0.00059717760153527
+m/z = 302.75	0.0422753281275894	0.0105748304975569
+m/z = 302.83	0.0478251463644703	0.0119630725230272
+m/z = 302.92	0.0117873138328592	0.00294850096557018
 m/z = 303	0.000543891887813245	0.000136050145022238
-m/z = 303.08	2.29533204013167e-18	1.01589666469305e-18
-m/z = 303.17	-2.57598447213458e-18	-1.12270263009047e-18
-m/z = 303.25	5.19482104286022e-19	2.08378307966282e-19
-m/z = 303.33	4.18546560129849e-06	1.04696027795468e-06
-m/z = 303.42	1.78559226074074e-06	4.46651423688266e-07
-m/z = 303.5	2.40845866548695e-07	6.02456403673824e-08
-m/z = 303.58	6.81052756798256e-18	2.93273032036009e-18
-m/z = 303.67	9.97093889070406e-19	4.84204439615688e-19
-m/z = 303.75	1.19175300446354e-18	5.12814251380436e-19
-m/z = 303.83	0.00179950042171068	-0.057307260525996
-m/z = 303.92	0.00323910627580946	-0.117042680086361
-m/z = 304	-0.00221983247055455	-0.135440075021637
-m/z = 304.08	0.00167857919888083	-0.0398049258709
-m/z = 304.17	0.015254290192657	0.0127905956151808
-m/z = 304.25	0.0061500795638847	0.00664260824343142
-m/z = 304.33	0.000463810193289093	0.000732422023079689
-m/z = 304.42	-0.0121864568041162	-0.000404596261869741
-m/z = 304.5	-0.0206720168643014	-0.000503758798743986
-m/z = 304.58	-0.0328176999234843	-0.0126423547079231
-m/z = 304.67	-0.0482606832428355	-0.010580063669163
-m/z = 304.75	-0.0142742734952315	-0.00471930409453515
-m/z = 304.83	-0.00118635057916411	-0.000662474245569391
-m/z = 304.92	-0.00138871717853178	-4.61060822079716e-05
-m/z = 305	-0.0527117640926544	-0.0017500560705619
-m/z = 305.08	-0.042895449302806	-0.00142414962759566
-m/z = 305.17	-0.00848209306364129	-0.0002817458089636
-m/z = 305.25	-1.99382379701147e-06	-5.72938648412985e-07
-m/z = 305.33	-3.36192825451195e-07	-1.33981156082733e-07
-m/z = 305.42	2.57614846606372e-12	2.78245973878199e-12
-m/z = 305.5	1.84375830822089e-18	9.42746246961771e-19
-m/z = 305.58	-4.42256844037394e-06	-1.4683141192126e-07
-m/z = 305.67	-0.00571542047365584	0.00879722931697928
-m/z = 305.75	-0.0254911789946343	0.0392460448983895
-m/z = 305.83	-0.0105718033678138	-0.00291019853705437
-m/z = 305.92	0.00618064757489441	-0.131084648437099
-m/z = 306	-0.000838690930112197	-0.0744131926836283
-m/z = 306.08	-0.0130494766825355	0.00166045771715351
-m/z = 306.17	0.0331859098477608	0.0161552601031249
-m/z = 306.25	0.0699660376819187	0.0184786284566641
-m/z = 306.33	0.0225906387134967	0.00565340171628551
-m/z = 306.42	0.00212956077044588	0.000533291798037168
-m/z = 306.5	0.00298787533493202	0.000738712875826983
-m/z = 306.58	0.0950317607456354	0.0237696453640888
-m/z = 306.67	0.12310606507388	0.0260031521356847
-m/z = 306.75	0.0306645997652935	-0.0571757038136143
-m/z = 306.83	0.0523543039111059	-0.0321262325343371
-m/z = 306.92	0.155556078072762	0.0570827792134528
-m/z = 307	0.0803613477432973	0.0327455853493652
-m/z = 307.08	0.0743067736583369	-0.125534209424419
-m/z = 307.17	0.0248520043381158	-0.333754175516717
-m/z = 307.25	0.00374032201816713	-0.130440896008766
-m/z = 307.33	0.000503197257887924	-0.0160249245748421
-m/z = 307.42	-1.62410714703567e-06	2.50047792504314e-06
-m/z = 307.5	-7.94043758373155e-07	1.22251102271588e-06
-m/z = 307.58	9.91839124411015e-06	3.11197839976444e-06
-m/z = 307.67	-0.00110952032451365	0.00134527568438585
-m/z = 307.75	-0.00700179780772964	0.00853357571857551
-m/z = 307.83	-0.00380156902044156	0.00463835244308596
-m/z = 307.92	-0.000221987775010001	-0.0115190081818464
-m/z = 308	0.000661876209073777	-0.0734801779318056
-m/z = 308.08	-0.014750276268074	-0.0193825730864178
-m/z = 308.17	-0.0117112557076822	0.0122349179874748
-m/z = 308.25	-0.0228406483765769	0.0425283694378972
-m/z = 308.33	-0.00914741206037789	0.0174891324702549
-m/z = 308.42	-0.000882588817192314	0.00186354045468429
-m/z = 308.5	-6.54966198370007e-09	7.99717001901376e-09
-m/z = 308.58	1.51022779280539e-07	-4.80950282729231e-06
-m/z = 308.67	4.40677140383487e-08	-1.40338803260417e-06
-m/z = 308.75	-1.76702391659953e-06	2.70915004535212e-06
-m/z = 308.83	-1.23862052027746e-06	2.31191973285764e-06
-m/z = 308.92	-2.25747873868949e-07	4.46480712644494e-07
-m/z = 309	6.2972351556352e-09	-5.31666806740199e-09
-m/z = 309.08	1.10303413390403e-11	-3.51274464567231e-10
-m/z = 309.17	6.21627344773198e-12	-1.97964435789439e-10
-m/z = 309.25	1.02187294121456e-12	-3.25427879076249e-11
-m/z = 309.33	-1.33797013951738e-10	2.41714056720334e-10
-m/z = 309.42	-3.95327566819727e-11	7.59090172799771e-11
-m/z = 309.5	-3.20207523754423e-12	6.93595536861213e-12
-m/z = 309.58	-2.09054710748409e-17	2.31228103362131e-17
-m/z = 309.67	7.08598315907157e-16	-2.25139820219757e-14
-m/z = 309.75	-0.00797239160401276	0.00909767277416815
-m/z = 309.83	-0.0255597032204474	0.0291673851028123
+m/z = 303.08	7.47436204207542e-19	-1.56423855319991e-18
+m/z = 303.17	1.14392477830951e-19	-2.37594932440985e-19
+m/z = 303.25	-2.00896832566757e-18	3.98635625264106e-18
+m/z = 303.33	4.18546560129704e-06	1.04696027795764e-06
+m/z = 303.42	1.7855922607419e-06	4.46651423688008e-07
+m/z = 303.5	2.40845866549495e-07	6.02456403664431e-08
+m/z = 303.58	-1.26795648107974e-18	2.62533136732221e-18
+m/z = 303.67	-1.06780307773474e-18	2.0810699955122e-18
+m/z = 303.75	1.2643870416402e-18	-2.51396059682868e-18
+m/z = 303.83	0.00179950042171087	-0.057307260525996
+m/z = 303.92	0.00323910627580984	-0.117042680086361
+m/z = 304	-0.00221983247055412	-0.135440075021637
+m/z = 304.08	0.00167857919888097	-0.0398049258709
+m/z = 304.17	0.015254290192657	0.012790595615181
+m/z = 304.25	0.00615007956388472	0.00664260824343149
+m/z = 304.33	0.000463810193289094	0.000732422023079692
+m/z = 304.42	-0.0121864568041163	-0.000404596261869822
+m/z = 304.5	-0.0206720168643015	-0.000503758798744126
+m/z = 304.58	-0.0328176999234842	-0.0126423547079233
+m/z = 304.67	-0.0482606832428354	-0.0105800636691633
+m/z = 304.75	-0.0142742734952315	-0.00471930409453522
+m/z = 304.83	-0.00118635057916411	-0.000662474245569403
+m/z = 304.92	-0.00138871717853178	-4.61060822079781e-05
+m/z = 305	-0.0527117640926545	-0.00175005607056224
+m/z = 305.08	-0.0428954493028061	-0.00142414962759593
+m/z = 305.17	-0.00848209306364131	-0.000281745808963649
+m/z = 305.25	-1.99382379701303e-06	-5.72938648410526e-07
+m/z = 305.33	-3.36192825452903e-07	-1.33981156083197e-07
+m/z = 305.42	2.5761506940952e-12	2.78245755255616e-12
+m/z = 305.5	-3.48349631092745e-19	7.59816858773693e-19
+m/z = 305.58	-4.42256844036834e-06	-1.4683141192802e-07
+m/z = 305.67	-0.00571542047365585	0.00879722931697928
+m/z = 305.75	-0.0254911789946344	0.0392460448983895
+m/z = 305.83	-0.0105718033678137	-0.00291019853705438
+m/z = 305.92	0.00618064757489481	-0.131084648437099
+m/z = 306	-0.000838690930111978	-0.0744131926836283
+m/z = 306.08	-0.0130494766825355	0.00166045771715343
+m/z = 306.17	0.0331859098477607	0.0161552601031249
+m/z = 306.25	0.0699660376819185	0.0184786284566642
+m/z = 306.33	0.0225906387134967	0.00565340171628555
+m/z = 306.42	0.00212956077044587	0.000533291798037169
+m/z = 306.5	0.00298787533493201	0.000738712875826988
+m/z = 306.58	0.0950317607456352	0.0237696453640889
+m/z = 306.67	0.12310606507388	0.0260031521356849
+m/z = 306.75	0.0306645997652937	-0.0571757038136143
+m/z = 306.83	0.052354303911106	-0.0321262325343371
+m/z = 306.92	0.155556078072762	0.0570827792134531
+m/z = 307	0.0803613477432971	0.0327455853493654
+m/z = 307.08	0.0743067736583372	-0.125534209424419
+m/z = 307.17	0.0248520043381169	-0.333754175516718
+m/z = 307.25	0.00374032201816756	-0.130440896008766
+m/z = 307.33	0.000503197257887978	-0.0160249245748421
+m/z = 307.42	-1.62410714703793e-06	2.50047792504396e-06
+m/z = 307.5	-7.94043758372008e-07	1.22251102271752e-06
+m/z = 307.58	9.91839124411223e-06	3.11197839976271e-06
+m/z = 307.67	-0.00110952032451366	0.00134527568438586
+m/z = 307.75	-0.0070017978077297	0.00853357571857559
+m/z = 307.83	-0.00380156902044159	0.004638352443086
+m/z = 307.92	-0.000221987775009971	-0.0115190081818464
+m/z = 308	0.000661876209074029	-0.0734801779318058
+m/z = 308.08	-0.0147502762680739	-0.0193825730864178
+m/z = 308.17	-0.0117112557076823	0.0122349179874748
+m/z = 308.25	-0.0228406483765769	0.0425283694378973
+m/z = 308.33	-0.00914741206037792	0.0174891324702549
+m/z = 308.42	-0.000882588817192316	0.00186354045468429
+m/z = 308.5	-6.54966198300399e-09	7.99717001951695e-09
+m/z = 308.58	1.51022779280689e-07	-4.80950282729707e-06
+m/z = 308.67	4.40677140364624e-08	-1.40338803260422e-06
+m/z = 308.75	-1.76702391660078e-06	2.70915004534841e-06
+m/z = 308.83	-1.23862052028093e-06	2.31191973286508e-06
+m/z = 308.92	-2.2574787386999e-07	4.4648071264709e-07
+m/z = 309	6.29723515645176e-09	-5.31666806266496e-09
+m/z = 309.08	1.10303381677504e-11	-3.51274464403603e-10
+m/z = 309.17	6.2162647149897e-12	-1.97964431850131e-10
+m/z = 309.25	1.02187630351306e-12	-3.25427890501742e-11
+m/z = 309.33	-1.33797016426012e-10	2.41714053605249e-10
+m/z = 309.42	-3.95327592736273e-11	7.59090227769834e-11
+m/z = 309.5	-3.20207525058694e-12	6.93595218795396e-12
+m/z = 309.58	-1.8970482032035e-17	2.28173491054589e-17
+m/z = 309.67	7.07726410653746e-16	-2.25161408222732e-14
+m/z = 309.75	-0.00797239160401278	0.0090976727741681
+m/z = 309.83	-0.0255597032204475	0.0291673851028122
 m/z = 309.92	-0.0111847820371263	0.0127634832906413
-m/z = 310	-0.0015806935342856	0.0018038040835765
-m/z = 310.08	1.82473009028698e-17	-1.50652927667369e-17
-m/z = 310.17	-2.57224769598416e-19	-1.99539671317679e-18
-m/z = 310.25	8.66333941636818e-19	-5.14243825062391e-19
-m/z = 310.33	-5.54867946643894e-07	6.33186032770842e-07
-m/z = 310.42	-1.35437147465415e-06	1.5455372870647e-06
-m/z = 310.5	-3.18377506527583e-07	3.63315616809685e-07
-m/z = 310.58	-1.14485164477129e-08	1.3064443088191e-08
-m/z = 310.67	-3.66068377020807e-19	-1.60861201617612e-19
-m/z = 310.75	1.24063063233106e-18	6.02638950454061e-19
-m/z = 310.83	2.0049471384989e-18	7.72218292213767e-19
-m/z = 310.92	-1.23453109134106e-10	1.40878176331305e-10
-m/z = 311	-4.92656375997739e-11	5.62193481764457e-11
-m/z = 311.08	-6.23222147119475e-12	7.11188398485494e-12
-m/z = 311.17	-1.56593661051603e-18	-6.61872478470756e-19
-m/z = 311.25	4.47958765915279e-19	1.76771986974688e-19
-m/z = 311.33	2.49680928002571e-18	1.06877382426678e-18
-m/z = 311.42	-4.78299349331085e-15	5.46560557976284e-15
-m/z = 311.5	0.0110301120139346	-0.0100095036011181
-m/z = 311.58	0.0090887864403089	-0.00824780750087992
-m/z = 311.67	0.00194811643158114	-0.0017678586049423
-m/z = 311.75	2.85364877885624e-05	-2.58960268873072e-05
-m/z = 311.83	-8.02896698295852e-19	-2.8075156386462e-19
-m/z = 311.92	3.22251860462538e-18	1.51990121354032e-18
-m/z = 312	2.40820464415855e-19	9.70012559891988e-19
-m/z = 312.08	8.88630349895167e-07	-8.06406016193982e-07
-m/z = 312.17	3.14709126165164e-07	-2.85589314750038e-07
-m/z = 312.25	3.46313782218298e-08	-3.14269614474139e-08
-m/z = 312.33	-2.08847291894123e-20	-9.7252411333063e-21
-m/z = 312.42	8.1271367626893e-19	3.92198763342587e-19
-m/z = 312.5	-1.74031663587964e-19	-7.4038070073175e-20
-m/z = 312.58	4.7207612482621e-11	-4.2839524314915e-11
-m/z = 312.67	4.12523365338838e-11	-3.74352900726192e-11
-m/z = 312.75	8.12759664170987e-12	-7.37555699148045e-12
-m/z = 312.83	-1.95707122339021e-18	-7.50996508309625e-19
-m/z = 312.92	2.39680953352419e-21	1.140812379799e-21
-m/z = 313	-5.19200680222072e-05	7.99362186128336e-05
-m/z = 313.08	-0.00771442880310655	0.0118771467520903
+m/z = 310	-0.00158069353428561	0.00180380408357649
+m/z = 310.08	1.80641749602905e-17	-1.72899384919771e-17
+m/z = 310.17	-2.47320958272535e-18	3.15351296840965e-18
+m/z = 310.25	4.37592672350038e-19	-1.73542942293083e-18
+m/z = 310.33	-5.54867946643355e-07	6.33186032770175e-07
+m/z = 310.42	-1.35437147465404e-06	1.54553728706427e-06
+m/z = 310.5	-3.18377506530102e-07	3.63315616811884e-07
+m/z = 310.58	-1.1448516447297e-08	1.30644430880437e-08
+m/z = 310.67	6.930631151532e-20	-1.39632113442089e-19
+m/z = 310.75	1.2987938130898e-18	-2.59800824752109e-18
+m/z = 310.83	5.94700286473475e-19	-1.1372141099925e-18
+m/z = 310.92	-1.23453109280896e-10	1.40878176570004e-10
+m/z = 311	-4.9265637231407e-11	5.62193456729797e-11
+m/z = 311.08	-6.23222337812304e-12	7.11188572240036e-12
+m/z = 311.17	3.06073427125538e-18	-6.14934442575623e-18
+m/z = 311.25	-5.3847655851313e-19	1.16409928935806e-18
+m/z = 311.33	2.95812573451775e-18	-6.14460219930446e-18
+m/z = 311.42	-4.7870540006937e-15	5.46211476149954e-15
+m/z = 311.5	0.0110301120139346	-0.010009503601118
+m/z = 311.58	0.0090887864403089	-0.00824780750087986
+m/z = 311.67	0.00194811643158114	-0.00176785860494228
+m/z = 311.75	2.8536487788562e-05	-2.58960268873156e-05
+m/z = 311.83	-2.20332263715659e-18	4.61930451760898e-18
+m/z = 311.92	3.09219956259735e-18	-6.23487179916691e-18
+m/z = 312	2.57252650284934e-19	-1.14290997229296e-18
+m/z = 312.08	8.88630349896832e-07	-8.06406016198295e-07
+m/z = 312.17	3.14709126168042e-07	-2.8558931475244e-07
+m/z = 312.25	3.46313782180539e-08	-3.14269614388258e-08
+m/z = 312.33	-3.32776049870564e-20	6.8423711417313e-20
+m/z = 312.42	2.35425854202309e-18	-4.56738094299296e-18
+m/z = 312.5	3.07241213572477e-18	-6.34673660328129e-18
+m/z = 312.58	4.72076105635388e-11	-4.28395230854417e-11
+m/z = 312.67	4.12523387802137e-11	-3.74352892773729e-11
+m/z = 312.75	8.12759802377935e-12	-7.37555782934598e-12
+m/z = 312.83	1.74157964649448e-18	-3.62886419813455e-18
+m/z = 312.92	2.62079928352012e-18	-5.73896523461765e-18
+m/z = 313	-5.19200680222055e-05	7.99362186128295e-05
+m/z = 313.08	-0.00771442880310657	0.0118771467520903
 m/z = 313.17	-0.0183562076395966	0.0282612462324566
-m/z = 313.25	-0.00596890965674152	0.00918974272139837
-m/z = 313.33	-0.000579017736041073	0.000891456619607939
-m/z = 313.42	-2.36080007723043e-18	-9.03997138379993e-19
-m/z = 313.5	-1.80565471219901e-18	-7.63808413972806e-19
-m/z = 313.58	4.15762075198569e-18	1.78438955514773e-18
-m/z = 313.67	-1.14516356056963e-06	1.76309562394667e-06
-m/z = 313.75	-8.07241297541777e-07	1.24282997483393e-06
-m/z = 313.83	-1.47574090183044e-07	2.27205301987394e-07
-m/z = 313.92	0.000809945634290759	-0.00073500194131324
-m/z = 314	0.0100094278817245	-0.00908326264508438
-m/z = 314.08	0.00680292513209355	-0.00617345531231348
-m/z = 314.17	0.00134539362888809	-0.00122090531413152
-m/z = 314.25	-8.70544744476253e-11	1.34029203754588e-10
-m/z = 314.33	-2.58028528474226e-11	3.97261080697973e-11
-m/z = 314.42	-2.10405462020212e-12	3.23940736376992e-12
-m/z = 314.5	2.8008685529536e-18	1.18427887092683e-18
-m/z = 314.58	7.01148603786141e-07	-6.36271822592152e-07
-m/z = 314.67	-0.00786121621836071	0.00897085810951361
-m/z = 314.75	-0.0265784278436018	0.0303299049590532
-m/z = 314.83	-0.0205567458940219	0.02345827409576
-m/z = 314.92	-0.0216361347654026	0.0246900157406328
-m/z = 315	-0.00682596769718486	0.00778943428278316
-m/z = 315.08	-0.000628809348309923	0.000717564070487578
-m/z = 315.17	3.06725297884797e-11	-2.78344246668552e-11
-m/z = 315.25	5.56382427407708e-12	-5.04900582923205e-12
-m/z = 315.33	-1.52540694179599e-18	2.17740776973012e-19
-m/z = 315.42	-1.41653364910199e-06	1.6164734816403e-06
-m/z = 315.5	-9.33822318162948e-07	1.06562877262018e-06
-m/z = 315.58	-1.65963451880252e-07	1.89388737114965e-07
-m/z = 315.67	3.32273624781036e-15	-3.01390355991498e-15
-m/z = 315.75	0.0133386192285338	0.00593680216000813
-m/z = 315.83	0.0204427540118316	0.0385209679014542
-m/z = 315.92	0.0205311009100069	0.0349708521406394
-m/z = 316	0.0165454003282334	0.020298227587882
-m/z = 316.08	0.00389353092948386	0.00420534413935446
-m/z = 316.17	0.0122368579868055	0.00317424247474578
-m/z = 316.25	0.0622105088359066	0.0155614542865521
-m/z = 316.33	0.0279064155011239	0.00698092951319485
-m/z = 316.42	0.00392898980899878	0.000984672021870273
-m/z = 316.5	1.26422039522962e-06	2.03812937963181e-06
-m/z = 316.58	5.91821058298775e-07	6.70065026993143e-07
-m/z = 316.67	7.59175808599603e-08	8.19974363671279e-08
-m/z = 316.75	1.42932217288404e-06	3.5753335039823e-07
-m/z = 316.83	3.38364637300181e-06	8.46391700383444e-07
-m/z = 316.92	7.93073879460238e-07	1.98544597355223e-07
-m/z = 317	2.80472477346789e-08	7.13530163959708e-09
-m/z = 317.08	7.08468956638431e-11	9.02484342509424e-11
-m/z = 317.17	1.63892897864322e-11	1.7701822298805e-11
-m/z = 317.25	2.59525660517777e-13	2.80310948757314e-13
-m/z = 317.33	3.09148834557792e-10	7.73310742187465e-11
-m/z = 317.42	1.22886549191536e-10	3.07440239185643e-11
-m/z = 317.5	1.54783265536276e-11	3.88036114957783e-12
-m/z = 317.58	6.33056039236243e-15	9.68024397540102e-15
-m/z = 317.67	2.61154443784307e-15	2.89895487476984e-15
-m/z = 317.75	2.9339313718304e-16	3.16623315607851e-16
-m/z = 317.83	1.21448435103466e-14	3.03791835410276e-15
-m/z = 317.92	1.54801427482992e-14	3.87191320046886e-15
-m/z = 318	-0.0164809472517527	0.0188071876737009
-m/z = 318.08	-0.0207983472272559	0.0237339767933607
-m/z = 318.17	-0.00568729926431133	0.00649004592918664
-m/z = 318.25	-0.000380369004932041	0.000434057044885767
-m/z = 318.33	-0.00547596034101268	0.00624887709753397
-m/z = 318.42	-0.0320439329027522	0.0365668459888613
-m/z = 318.5	-0.0174046894275635	0.0198613135195716
-m/z = 318.58	-0.00297456002187369	0.0033944109961339
-m/z = 318.67	2.14586472361884e-18	9.45413755803239e-19
-m/z = 318.75	-1.15899511518038e-18	-4.57948257596756e-19
-m/z = 318.83	-7.29375786706159e-19	-2.88534588643076e-19
-m/z = 318.92	-1.31629740765759e-18	-5.41893521262345e-19
-m/z = 319	-1.9431289613734e-06	2.21739627537967e-06
-m/z = 319.08	-5.38867732560114e-07	6.14927432426714e-07
-m/z = 319.17	-3.74640814235274e-08	4.27520335827536e-08
-m/z = 319.25	2.44007947218193e-18	1.01495281607121e-18
-m/z = 319.33	3.90000960726868e-19	1.79452999903162e-19
-m/z = 319.42	-5.06837518396098e-19	-1.80670609966789e-19
-m/z = 319.5	-1.5090410008678e-10	1.72203800284078e-10
-m/z = 319.58	-7.76080784908652e-11	8.85622487758266e-11
-m/z = 319.67	-1.20743839987614e-11	1.37786536434501e-11
-m/z = 319.75	-5.26443827761254e-19	-2.18535346555371e-19
-m/z = 319.83	1.03544527047254e-18	4.61995411611495e-19
-m/z = 319.92	2.76804777848427e-18	1.52764808147872e-18
-m/z = 320	-2.98771463783139e-16	3.41893004746679e-16
-m/z = 320.08	-9.04614748657516e-15	1.03201387590557e-14
-m/z = 320.17	-2.30199186547651e-15	2.62807779227343e-15
-m/z = 320.25	-1.21365689240944e-16	1.39026985382791e-16
-m/z = 320.33	1.80474547603898e-18	8.19537171271766e-19
-m/z = 320.42	4.86779537056901e-19	2.1741531815658e-19
-m/z = 320.5	7.6910277975214e-19	3.64566427030284e-19
-m/z = 320.58	-3.51510242992016e-18	-5.56204436523012e-19
-m/z = 320.67	1.44082088100235e-18	1.28771615054977e-18
-m/z = 320.75	-3.18025685067019e-18	-1.35310712542019e-18
-m/z = 320.83	-0.00977644367386853	-0.000324582659952067
-m/z = 320.92	-0.0192589313007295	-0.000639405836923475
-m/z = 321	-0.006040086409114	-0.000200533791060526
-m/z = 321.08	-0.000550507963199531	-1.82771307216469e-05
+m/z = 313.25	-0.00596890965674153	0.00918974272139836
+m/z = 313.33	-0.000579017736041075	0.000891456619607948
+m/z = 313.42	-7.80840145180217e-19	1.82891401534034e-18
+m/z = 313.5	4.78362388490033e-19	-9.99184626675487e-19
+m/z = 313.58	-1.93173896966808e-18	4.18205932735529e-18
+m/z = 313.67	-1.1451635605695e-06	1.76309562395104e-06
+m/z = 313.75	-8.0724129753878e-07	1.2428299748326e-06
+m/z = 313.83	-1.47574090184383e-07	2.27205301997189e-07
+m/z = 313.92	0.000809945634290757	-0.000735001941313237
+m/z = 314	0.0100094278817245	-0.00908326264508433
+m/z = 314.08	0.00680292513209354	-0.00617345531231344
+m/z = 314.17	0.00134539362888809	-0.00122090531413151
+m/z = 314.25	-8.70544777503152e-11	1.34029212952048e-10
+m/z = 314.33	-2.58028504957472e-11	3.97261093568059e-11
+m/z = 314.42	-2.10405629711749e-12	3.23940886506817e-12
+m/z = 314.5	1.50606071443998e-19	-3.26629739057003e-19
+m/z = 314.58	7.01148603785718e-07	-6.36271822593896e-07
+m/z = 314.67	-0.00786121621836074	0.00897085810951358
+m/z = 314.75	-0.0265784278436019	0.0303299049590531
+m/z = 314.83	-0.0205567458940219	0.0234582740957598
+m/z = 314.92	-0.0216361347654027	0.0246900157406327
+m/z = 315	-0.00682596769718489	0.00778943428278313
+m/z = 315.08	-0.00062880934830992	0.000717564070487571
+m/z = 315.17	3.06725294690812e-11	-2.78344202133668e-11
+m/z = 315.25	5.56382251036721e-12	-5.04900549389141e-12
+m/z = 315.33	2.3808955025814e-18	-5.11797779451209e-18
+m/z = 315.42	-1.41653364910304e-06	1.61647348164201e-06
+m/z = 315.5	-9.33822318159701e-07	1.06562877262067e-06
+m/z = 315.58	-1.65963451882263e-07	1.89388737120187e-07
+m/z = 315.67	3.32303165485681e-15	-3.01689646198691e-15
+m/z = 315.75	0.0133386192285338	0.00593680216000815
+m/z = 315.83	0.0204427540118315	0.0385209679014543
+m/z = 315.92	0.0205311009100069	0.0349708521406396
+m/z = 316	0.0165454003282334	0.0202982275878822
+m/z = 316.08	0.00389353092948387	0.0042053441393545
+m/z = 316.17	0.0122368579868054	0.0031742424747458
+m/z = 316.25	0.0622105088359064	0.0155614542865522
+m/z = 316.33	0.0279064155011238	0.00698092951319489
+m/z = 316.42	0.00392898980899877	0.000984672021870285
+m/z = 316.5	1.26422039523287e-06	2.03812937962845e-06
+m/z = 316.58	5.91821058296206e-07	6.70065026993984e-07
+m/z = 316.67	7.59175808605326e-08	8.1997436365456e-08
+m/z = 316.75	1.42932217288407e-06	3.57533350400182e-07
+m/z = 316.83	3.38364637299684e-06	8.46391700389636e-07
+m/z = 316.92	7.93073879456759e-07	1.98544597361044e-07
+m/z = 317	2.80472477369263e-08	7.13530163897473e-09
+m/z = 317.08	7.08469003553349e-11	9.02484258097797e-11
+m/z = 317.17	1.63892813113305e-11	1.77018300136747e-11
+m/z = 317.25	2.5952631455071e-13	2.80314058103478e-13
+m/z = 317.33	3.09148831535689e-10	7.73310754281976e-11
+m/z = 317.42	1.22886551861536e-10	3.07440250179752e-11
+m/z = 317.5	1.54783255454924e-11	3.880363151428e-12
+m/z = 317.58	6.32802946949525e-15	9.67837056460049e-15
+m/z = 317.67	2.6106733007082e-15	2.90065647043201e-15
+m/z = 317.75	2.93744385857263e-16	3.1474976541265e-16
+m/z = 317.83	1.21476715833385e-14	3.03239062006186e-15
+m/z = 317.92	1.54804806155156e-14	3.87687750508053e-15
+m/z = 318	-0.0164809472517528	0.0188071876737008
+m/z = 318.08	-0.0207983472272559	0.0237339767933606
+m/z = 318.17	-0.00568729926431134	0.0064900459291866
+m/z = 318.25	-0.000380369004932044	0.000434057044885767
+m/z = 318.33	-0.0054759603410127	0.00624887709753394
+m/z = 318.42	-0.0320439329027523	0.0365668459888611
+m/z = 318.5	-0.0174046894275635	0.0198613135195715
+m/z = 318.58	-0.0029745600218737	0.00339441099613389
+m/z = 318.67	6.77219029512895e-19	-1.30965314356898e-18
+m/z = 318.75	2.18947139440182e-18	-4.72128554737912e-18
+m/z = 318.83	-3.55598550196436e-18	7.30618959963614e-18
+m/z = 318.92	6.40268073450107e-19	-1.35306766632003e-18
+m/z = 319	-1.94312896137121e-06	2.2173962753734e-06
+m/z = 319.08	-5.38867732557724e-07	6.14927432428924e-07
+m/z = 319.17	-3.74640814251324e-08	4.27520335833109e-08
+m/z = 319.25	1.79756533061535e-18	-3.70449280455239e-18
+m/z = 319.33	5.32876750622594e-18	-1.16736728350286e-17
+m/z = 319.42	1.2482696794362e-18	-2.32525857202395e-18
+m/z = 319.5	-1.50904101929418e-10	1.72203802501494e-10
+m/z = 319.58	-7.76080804646697e-11	8.8562247656586e-11
+m/z = 319.67	-1.2074386001956e-11	1.37786522910704e-11
+m/z = 319.75	-1.1086287772001e-18	2.264618374908e-18
+m/z = 319.83	2.32023991215123e-18	-4.54433093483871e-18
+m/z = 319.92	-1.94928828490999e-18	4.17788020410552e-18
+m/z = 320	-2.99375231579372e-16	3.41622239704057e-16
+m/z = 320.08	-9.04565141003776e-15	1.03234841020712e-14
+m/z = 320.17	-2.30459556958099e-15	2.63143054737972e-15
+m/z = 320.25	-1.22113740454881e-16	1.39801268516935e-16
+m/z = 320.33	1.72031851335011e-18	-3.52483755070958e-18
+m/z = 320.42	-2.23773160580469e-18	4.68258590242082e-18
+m/z = 320.5	3.73821567858117e-18	-7.6630539274553e-18
+m/z = 320.58	3.04800956448437e-19	-1.32065009622256e-18
+m/z = 320.67	1.12233460095696e-19	-5.45670293037736e-19
+m/z = 320.75	2.62729120699377e-19	-6.13716057232121e-19
+m/z = 320.83	-0.00977644367386857	-0.000324582659952139
+m/z = 320.92	-0.0192589313007296	-0.000639405836923595
+m/z = 321	-0.00604008640911402	-0.000200533791060569
+m/z = 321.08	-0.000550507963199529	-1.82771307216498e-05
 m/z = 321.17	-0.000420316889914967	0.000647120546616738
 m/z = 321.25	-0.0160493050059121	0.0247095352992969
 m/z = 321.33	-0.0133044907952425	0.0204836150115606
 m/z = 321.42	-0.00280369984754082	0.00431457938840582
-m/z = 321.5	-2.99616718683856e-05	4.48264678207233e-05
-m/z = 321.58	-1.46349424817377e-07	-4.85887170932009e-09
-m/z = 321.67	-1.85392575232393e-18	-7.02449176376898e-19
-m/z = 321.75	2.91547570248032e-18	1.3228095433001e-18
-m/z = 321.83	-1.31657543889254e-06	2.02700162215534e-06
-m/z = 321.92	-4.56505001747529e-07	7.02835820665598e-07
-m/z = 322	-4.88969458083765e-08	7.51388050673184e-08
-m/z = 322.08	-2.60463123177573e-11	-8.64749596409318e-13
-m/z = 322.17	-1.96590422302924e-12	-6.52681967453221e-14
-m/z = 322.25	-7.43710755105755e-19	-2.96874382714168e-19
-m/z = 322.33	-7.30693925991795e-11	1.12497746220599e-10
-m/z = 322.42	-6.02941142862264e-11	9.28289081511712e-11
-m/z = 322.5	-1.16749365847998e-11	1.79640601124264e-11
-m/z = 322.58	-3.70056407782962e-15	-1.22425023373497e-16
-m/z = 322.67	-0.00331903464427213	-0.000110193555985031
-m/z = 322.75	-0.0236609525796025	-0.000785555073141271
-m/z = 322.83	-0.0143321498936129	-0.000475834310561713
-m/z = 322.92	-0.00255264113548893	-8.47489206916706e-05
-m/z = 323	-1.98222446832835e-15	3.05087921946807e-15
-m/z = 323.08	-1.80203404453622e-16	2.80441996859888e-16
-m/z = 323.17	-1.16578769527024e-18	-5.0446454406669e-19
-m/z = 323.25	-2.95759805362534e-18	-1.41203759190879e-18
-m/z = 323.33	-1.56715160885444e-06	-5.20301916238464e-08
-m/z = 323.42	-4.52431500787904e-07	-1.50209447179939e-08
-m/z = 323.5	-3.47838869530754e-08	-1.15484187597288e-09
-m/z = 323.58	-1.78855817702117e-18	-6.1298314612883e-19
-m/z = 323.67	-1.90254589237585e-18	-9.66021006712359e-19
-m/z = 323.75	-2.54672465781877e-18	-9.47998865661909e-19
-m/z = 323.83	-1.16017962085292e-10	-3.85185233989253e-12
-m/z = 323.92	-6.40951608791688e-11	-2.12799042407269e-12
-m/z = 324	-1.04178791879796e-11	-3.45879596782531e-13
-m/z = 324.08	-4.64933764485962e-19	-1.84629991152027e-19
-m/z = 324.17	1.73887327452781e-18	8.12069791829595e-19
-m/z = 324.25	-2.05160017785008e-18	-8.60091615272932e-19
-m/z = 324.33	2.23975361732075e-18	1.25547575058416e-18
-m/z = 324.42	-0.0013862896374605	2.92556750799663e-05
-m/z = 324.5	-0.0202688214408515	0.000427744706670097
-m/z = 324.58	-0.0146774599074953	0.000309746957962802
-m/z = 324.67	-0.0029997776684325	6.33060497673184e-05
-m/z = 324.75	-8.60343295476125e-06	1.81563240681422e-07
-m/z = 324.83	-4.93348025134373e-19	-2.14684394490882e-19
-m/z = 324.92	3.99351466146e-19	4.29659734818048e-19
-m/z = 325	-8.13084547364574e-19	-2.28781493458675e-19
-m/z = 325.08	-1.48175811637213e-06	3.12704018199804e-08
-m/z = 325.17	-4.95880138831949e-07	1.04648464710491e-08
-m/z = 325.25	-5.03428867804643e-08	1.06241516738881e-09
-m/z = 325.33	-7.90970378755374e-19	-3.16183786030502e-19
-m/z = 325.42	1.37636839900669e-18	4.75324585461891e-19
-m/z = 325.5	3.29722475937098e-18	1.4185860124645e-18
-m/z = 325.58	-8.79371563090288e-11	1.85578802841438e-12
-m/z = 325.67	-6.63543946674727e-11	1.40031487945711e-12
-m/z = 325.75	0.000302844775153635	-0.00964445806872734
-m/z = 325.83	0.00367083780664417	-0.116902263975602
-m/z = 325.92	0.00308835725141289	-0.0983524671131378
-m/z = 326	0.000676494883991635	-0.0215437967222071
-m/z = 326.08	1.34199599191964e-05	-0.000427374833662219
-m/z = 326.17	-7.05079794204921e-15	1.49731933544214e-16
-m/z = 326.25	-2.14964128755941e-15	4.47734910335367e-17
-m/z = 326.33	-1.85861328728478e-16	3.5739439177959e-18
-m/z = 326.42	2.97316109548437e-07	-9.46839063814712e-06
-m/z = 326.5	1.08163453944473e-07	-3.44459584196265e-06
-m/z = 326.58	1.23221260648313e-08	-3.9241298844618e-07
-m/z = 326.67	1.81655867018042e-18	8.65265161484183e-19
-m/z = 326.75	0.00549732350160796	0.00137511089315002
-m/z = 326.83	0.0962963523709596	-0.0334416260931876
-m/z = 326.92	0.0605433521403455	-0.1603443276671
-m/z = 327	0.0787685768932973	-0.0514791863852632
-m/z = 327.08	0.230441004723077	0.0881989547143439
-m/z = 327.17	0.098840337465263	0.0685593205098277
-m/z = 327.25	0.011852963579033	0.0148248790639326
-m/z = 327.33	-0.000624878689990421	0.000713078600181397
-m/z = 327.42	1.05462326665026e-07	-3.35857518108558e-06
-m/z = 327.5	-2.27218782206624e-06	-9.61275906267686e-06
+m/z = 321.5	-2.99616718683881e-05	4.48264678207248e-05
+m/z = 321.58	-1.46349424819279e-07	-4.85887170842312e-09
+m/z = 321.67	8.41332254348306e-19	-1.72675834706338e-18
+m/z = 321.75	-1.87008181215012e-18	3.86935362294697e-18
+m/z = 321.83	-1.31657543889011e-06	2.02700162215447e-06
+m/z = 321.92	-4.56505001745567e-07	7.0283582066507e-07
+m/z = 322	-4.88969458105591e-08	7.51388050703725e-08
+m/z = 322.08	-2.60463179666409e-11	-8.64742620548254e-13
+m/z = 322.17	-1.96590681986306e-12	-6.52680521131685e-14
+m/z = 322.25	8.24793934760696e-19	-1.67223365131239e-18
+m/z = 322.33	-7.30693874872574e-11	1.12497743319435e-10
+m/z = 322.42	-6.02941109059918e-11	9.28289079087217e-11
+m/z = 322.5	-1.167493418482e-11	1.79640564769487e-11
+m/z = 322.58	-3.70117153107426e-15	-1.23930667033408e-16
+m/z = 322.67	-0.00331903464427215	-0.000110193555985052
+m/z = 322.75	-0.0236609525796025	-0.000785555073141427
+m/z = 322.83	-0.014332149893613	-0.0004758343105618
+m/z = 322.92	-0.00255264113548894	-8.47489206916858e-05
+m/z = 323	-1.98402274310622e-15	3.05586239499595e-15
+m/z = 323.08	-1.77351425814403e-16	2.70693931910824e-16
+m/z = 323.17	-1.43507077210745e-18	3.01872564535294e-18
+m/z = 323.25	2.53586609720789e-18	-5.05056278138417e-18
+m/z = 323.33	-1.56715160885578e-06	-5.20301916201867e-08
+m/z = 323.42	-4.52431500789054e-07	-1.50209447165971e-08
+m/z = 323.5	-3.47838869509723e-08	-1.15484187694377e-09
+m/z = 323.58	-2.62003598968519e-18	5.12413512019678e-18
+m/z = 323.67	1.30703704271011e-18	-2.6982978997337e-18
+m/z = 323.75	1.09858918917032e-18	-2.19801617012949e-18
+m/z = 323.83	-1.16017960747978e-10	-3.8518563427311e-12
+m/z = 323.92	-6.40951594120246e-11	-2.12799304880443e-12
+m/z = 324	-1.0417877913849e-11	-3.45874609755556e-13
+m/z = 324.08	-8.51073475746203e-19	1.96116189391651e-18
+m/z = 324.17	-1.86799679355626e-18	4.11450834641418e-18
+m/z = 324.25	7.0332219361982e-19	-1.48753874788881e-18
+m/z = 324.33	-7.26497503481e-19	1.4685144209807e-18
+m/z = 324.42	-0.0013862896374605	2.92556750799658e-05
+m/z = 324.5	-0.0202688214408515	0.000427744706670055
+m/z = 324.58	-0.0146774599074953	0.000309746957962782
+m/z = 324.67	-0.00299977766843249	6.33060497673155e-05
+m/z = 324.75	-8.60343295476301e-06	1.81563240684231e-07
+m/z = 324.83	-1.72925710459754e-18	3.64089285180715e-18
+m/z = 324.92	-4.92042420206089e-19	-2.33168469263363e-19
+m/z = 325	2.60789564724286e-19	-1.09362753367403e-18
+m/z = 325.08	-1.48175811637682e-06	3.12704018225005e-08
+m/z = 325.17	-4.9588013882998e-07	1.04648464669524e-08
+m/z = 325.25	-5.03428867824452e-08	1.06241517598129e-09
+m/z = 325.33	6.90788943617698e-19	-1.41623665796614e-18
+m/z = 325.42	-3.04403059955579e-18	6.66244207818103e-18
+m/z = 325.5	-2.77264610811149e-18	5.5685017151391e-18
+m/z = 325.58	-8.79371547884039e-11	1.85578918928605e-12
+m/z = 325.67	-6.635439487682e-11	1.40031758361703e-12
+m/z = 325.75	0.000302844775153668	-0.00964445806872736
+m/z = 325.83	0.00367083780664456	-0.116902263975602
+m/z = 325.92	0.0030883572514132	-0.0983524671131379
+m/z = 326	0.000676494883991705	-0.0215437967222071
+m/z = 326.08	1.34199599191956e-05	-0.000427374833662222
+m/z = 326.17	-7.0521131671285e-15	1.46428170366507e-16
+m/z = 326.25	-2.14806099330267e-15	4.51960678938036e-17
+m/z = 326.33	-1.87163127233327e-16	7.97514865558367e-18
+m/z = 326.42	2.97316109549007e-07	-9.46839063814926e-06
+m/z = 326.5	1.08163453942656e-07	-3.44459584196385e-06
+m/z = 326.58	1.23221260658378e-08	-3.92412988451608e-07
+m/z = 326.67	-1.41521030777172e-18	1.76095471736936e-18
+m/z = 326.75	0.00549732350160794	0.00137511089315003
+m/z = 326.83	0.0962963523709597	-0.0334416260931875
+m/z = 326.92	0.0605433521403459	-0.1603443276671
+m/z = 327	0.0787685768932973	-0.0514791863852633
+m/z = 327.08	0.230441004723077	0.0881989547143443
+m/z = 327.17	0.0988403374652627	0.0685593205098278
+m/z = 327.25	0.0118529635790329	0.0148248790639326
+m/z = 327.33	-0.000624878689990424	0.000713078600181394
+m/z = 327.42	1.05462326665993e-07	-3.35857518108936e-06
+m/z = 327.5	-2.27218782206777e-06	-9.61275906267438e-06
 m/z = 327.58	-0.0126322373908445	0.0194459527024737
-m/z = 327.67	-0.032368644462187	0.0481506261922548
-m/z = 327.75	-0.0285935301941693	0.0430843923184673
-m/z = 327.83	-0.0174296434280433	0.0715996079219227
-m/z = 327.92	-0.0336276926092687	0.114162767641004
-m/z = 328	-0.0494850982264579	-0.0249268038186266
-m/z = 328.08	-0.00957173773722477	-0.0619664011896441
-m/z = 328.17	0.00588687036342954	-0.0182161017939052
-m/z = 328.25	0.0019029689424328	-0.00113972410369883
-m/z = 328.33	0.0174991274504945	0.00437758135598875
-m/z = 328.42	0.103765595483177	0.0259561635423596
-m/z = 328.5	0.0619555096710507	0.01549766831339
-m/z = 328.58	0.0118289963089407	0.00204768983535252
-m/z = 328.67	-0.00271503653389267	0.0112599942984591
-m/z = 328.75	-0.000681719281395002	0.137538744971696
-m/z = 328.83	0.130472684695182	0.242181848565892
-m/z = 328.92	0.338907721560253	-0.00818289230672582
-m/z = 329	0.409778131985418	0.120695530580544
-m/z = 329.08	0.273007580980106	-0.0472021189076578
-m/z = 329.17	0.207763261390436	-0.176699018045876
-m/z = 329.25	0.26054779532115	-0.0318392361741355
-m/z = 329.33	0.0860486345977861	0.0115245609172035
-m/z = 329.42	0.00766622684227024	0.00248826292326991
-m/z = 329.5	8.67817054076209e-19	3.00523843800028e-19
-m/z = 329.58	-7.1886688121461e-06	1.10763584160666e-05
-m/z = 329.67	3.46232114156467e-07	1.2590639046898e-07
-m/z = 329.75	-0.00020089730223954	0.00033217903940619
-m/z = 329.83	-0.00148708335387076	0.0196286301635167
-m/z = 329.92	0.0387543104684879	0.0331505655890543
-m/z = 330	0.0535975865777489	0.0145464442237177
-m/z = 330.08	0.0773485033233044	0.0241940762460858
-m/z = 330.17	-0.0159064570296109	0.0808930646802957
-m/z = 330.25	-0.0256255172476363	0.0464082474760022
+m/z = 327.67	-0.0323686444621871	0.0481506261922548
+m/z = 327.75	-0.0285935301941694	0.0430843923184673
+m/z = 327.83	-0.0174296434280434	0.0715996079219228
+m/z = 327.92	-0.0336276926092689	0.114162767641004
+m/z = 328	-0.0494850982264577	-0.0249268038186268
+m/z = 328.08	-0.00957173773722432	-0.0619664011896441
+m/z = 328.17	0.00588687036342969	-0.0182161017939051
+m/z = 328.25	0.00190296894243281	-0.00113972410369882
+m/z = 328.33	0.0174991274504944	0.00437758135598877
+m/z = 328.42	0.103765595483177	0.0259561635423597
+m/z = 328.5	0.0619555096710506	0.0154976683133901
+m/z = 328.58	0.0118289963089407	0.00204768983535254
+m/z = 328.67	-0.00271503653389271	0.0112599942984591
+m/z = 328.75	-0.000681719281395158	0.137538744971696
+m/z = 328.83	0.130472684695182	0.242181848565893
+m/z = 328.92	0.338907721560253	-0.00818289230672464
+m/z = 329	0.409778131985417	0.120695530580546
+m/z = 329.08	0.273007580980106	-0.0472021189076567
+m/z = 329.17	0.207763261390437	-0.176699018045875
+m/z = 329.25	0.26054779532115	-0.0318392361741353
+m/z = 329.33	0.0860486345977859	0.0115245609172036
+m/z = 329.42	0.00766622684227022	0.00248826292326992
+m/z = 329.5	3.41712375862885e-19	-7.65290338736351e-19
+m/z = 329.58	-7.18866881214753e-06	1.10763584160728e-05
+m/z = 329.67	3.46232114154745e-07	1.2590639047126e-07
+m/z = 329.75	-0.000200897302239539	0.000332179039406185
+m/z = 329.83	-0.0014870833538708	0.0196286301635167
+m/z = 329.92	0.0387543104684878	0.0331505655890544
+m/z = 330	0.0535975865777487	0.0145464442237178
+m/z = 330.08	0.0773485033233042	0.0241940762460859
+m/z = 330.17	-0.0159064570296111	0.0808930646802957
+m/z = 330.25	-0.0256255172476364	0.0464082474760022
 m/z = 330.33	-0.00518705089831004	0.00798599106318466
-m/z = 330.42	-5.87070716007428e-11	-4.20641932121014e-11
-m/z = 330.5	-4.41470102308518e-12	9.57886292823913e-13
-m/z = 330.58	3.58905894274327e-06	5.33910263747273e-07
-m/z = 330.67	4.09299073698532e-06	8.52763421784154e-07
-m/z = 330.75	-2.39230149618756e-06	5.20292303043883e-06
-m/z = 330.83	-9.26471819571078e-07	1.42639740681696e-06
-m/z = 330.92	-6.88248135881712e-08	1.05962768301039e-07
-m/z = 331	-1.37068120843308e-15	2.60119789160497e-16
-m/z = 331.08	-7.7248776938268e-11	-2.51669808104377e-11
-m/z = 331.17	4.04736797704132e-10	8.07881356993736e-11
-m/z = 331.25	-1.04760322714163e-10	4.07870087094559e-10
-m/z = 331.33	-1.17132863701896e-10	2.06817550909254e-10
-m/z = 331.42	-2.1129832260201e-11	3.25315220014857e-11
-m/z = 331.5	9.08525252615072e-21	-2.78834341968017e-20
-m/z = 331.58	2.19794942058826e-19	1.04494252564667e-19
-m/z = 331.67	0.00418222919082107	-0.00379525050090877
-m/z = 331.75	0.0074688836585035	-0.00677779317031956
-m/z = 331.83	0.00241291406573117	-0.00218964884485903
-m/z = 331.92	0.000231563862616388	-0.000210137423245752
-m/z = 332	-2.29563072972362e-16	3.53172249877867e-16
-m/z = 332.08	-3.37856344868129e-19	-1.35309495156724e-19
-m/z = 332.17	7.940884656409e-19	5.28595324679655e-19
-m/z = 332.25	4.70931221574582e-07	-4.2735629087078e-07
-m/z = 332.33	3.2713173166412e-07	-2.96862465401548e-07
-m/z = 332.42	5.94499060303066e-08	-5.39490485418418e-08
-m/z = 332.5	6.25445790869546e-19	4.09086326420415e-19
-m/z = 332.58	-7.05230891572998e-19	-3.17318278780903e-19
-m/z = 332.67	-1.1086528712462e-18	-5.13578945929412e-19
-m/z = 332.75	-1.75112141481599e-18	-7.1341002712039e-19
-m/z = 332.83	0.00160890720084803	-0.00146003616286131
-m/z = 332.92	0.0138197923761245	-0.0125410568252425
-m/z = 333	0.00853577108423887	-0.00774596226204092
-m/z = 333.08	0.00159457180203	-0.00144702720829121
-m/z = 333.17	6.7691053858493e-19	2.8451139903619e-19
-m/z = 333.25	-7.32282495727822e-19	-3.43016502435067e-19
-m/z = 333.33	2.38259775629674e-18	1.12005553742362e-18
-m/z = 333.42	-1.56946902844822e-18	-5.34235403987559e-19
-m/z = 333.5	9.09612338979898e-07	-8.25446556767699e-07
-m/z = 333.58	2.75731199018313e-07	-2.50217987452917e-07
-m/z = 333.67	2.35548003837977e-08	-2.13752914710228e-08
-m/z = 333.75	4.9690930906402e-19	1.95260439584406e-19
-m/z = 333.83	-3.76425885114154e-18	-1.48305790889502e-18
-m/z = 333.92	1.68975745084517e-18	5.23671788153993e-19
-m/z = 334	-0.000706553423054607	1.49107511340363e-05
-m/z = 334.08	-0.0164520057622188	0.000347196195455112
-m/z = 334.17	-0.0177538225864371	0.000374669219866956
-m/z = 334.25	-0.0042888805908569	9.05107371749839e-05
-m/z = 334.33	-0.000179650955399355	3.79127841471047e-06
-m/z = 334.42	-4.16976646955268e-19	-1.88199095963073e-19
-m/z = 334.5	3.44624636041309e-18	1.31183181290223e-18
-m/z = 334.58	4.27909811481456e-15	-3.8802604882163e-15
-m/z = 334.67	-1.58145314840076e-06	3.33743229101745e-08
-m/z = 334.75	-6.5553418683595e-07	1.38341184667784e-08
-m/z = 334.83	-0.00704388991919768	-0.000233855877815796
-m/z = 334.92	-0.0338415622600728	-0.00112355624005367
-m/z = 335	-0.0138403304706175	-0.000459505667769182
-m/z = 335.08	-0.00165300051262058	-5.48804167636775e-05
-m/z = 335.17	-5.35328657679157e-11	1.12973520788017e-12
-m/z = 335.25	-0.000677475573894168	0.000773099298484873
+m/z = 330.42	-5.87070713698737e-11	-4.20641938886987e-11
+m/z = 330.5	-4.41470219412323e-12	9.57888704865918e-13
+m/z = 330.58	3.58905894274251e-06	5.33910263750083e-07
+m/z = 330.67	4.09299073698543e-06	8.52763421786791e-07
+m/z = 330.75	-2.39230149619026e-06	5.20292303043525e-06
+m/z = 330.83	-9.26471819569299e-07	1.42639740681171e-06
+m/z = 330.92	-6.88248135860013e-08	1.05962768300077e-07
+m/z = 331	-1.37164632372034e-15	2.60972739037099e-16
+m/z = 331.08	-7.7248776644979e-11	-2.5166984158493e-11
+m/z = 331.17	4.04736798117229e-10	8.07881355465537e-11
+m/z = 331.25	-1.04760321383663e-10	4.07870082540718e-10
+m/z = 331.33	-1.17132865003812e-10	2.06817550165798e-10
+m/z = 331.42	-2.11298335121382e-11	3.25315220794141e-11
+m/z = 331.5	2.63378652966274e-20	-6.95906997642074e-19
+m/z = 331.58	2.8952057016178e-19	-5.99744071957305e-19
+m/z = 331.67	0.00418222919082107	-0.00379525050090873
+m/z = 331.75	0.0074688836585035	-0.0067777931703195
+m/z = 331.83	0.00241291406573117	-0.00218964884485901
+m/z = 331.92	0.000231563862616389	-0.000210137423245755
+m/z = 332	-2.29745417064126e-16	3.53890842154922e-16
+m/z = 332.08	-2.08487284205614e-18	4.30300678139065e-18
+m/z = 332.17	-5.06086338690248e-19	-2.08557086617086e-19
+m/z = 332.25	4.70931221575335e-07	-4.27356290879221e-07
+m/z = 332.33	3.27131731663186e-07	-2.96862465400277e-07
+m/z = 332.42	5.94499060316205e-08	-5.39490485492247e-08
+m/z = 332.5	1.42248939376461e-18	-3.05355170690022e-18
+m/z = 332.58	-2.59404929648593e-18	5.17728209493877e-18
+m/z = 332.67	-1.07419837940426e-18	2.12102964333857e-18
+m/z = 332.75	-2.044761955887e-18	4.39429029788894e-18
+m/z = 332.83	0.00160890720084802	-0.00146003616286131
+m/z = 332.92	0.0138197923761245	-0.0125410568252424
+m/z = 333	0.00853577108423887	-0.00774596226204086
+m/z = 333.08	0.00159457180203	-0.00144702720829119
+m/z = 333.17	-8.19965501387259e-20	1.65861920193266e-19
+m/z = 333.25	1.34384409842688e-18	-2.67678148443513e-18
+m/z = 333.33	-1.71650133977947e-18	3.49401587050766e-18
+m/z = 333.42	-2.07251286377413e-18	4.32083045563964e-18
+m/z = 333.5	9.0961233897789e-07	-8.25446556759817e-07
+m/z = 333.58	2.75731199018938e-07	-2.50217987455696e-07
+m/z = 333.67	2.35548003838919e-08	-2.13752914728343e-08
+m/z = 333.75	7.94625982505466e-19	-1.6867661290004e-18
+m/z = 333.83	7.53158759238632e-19	-1.45779121341108e-18
+m/z = 333.92	6.84447053258831e-19	-1.39521810199874e-18
+m/z = 334	-0.000706553423054604	1.49107511340342e-05
+m/z = 334.08	-0.0164520057622188	0.000347196195455082
+m/z = 334.17	-0.0177538225864371	0.000374669219866932
+m/z = 334.25	-0.0042888805908569	9.05107371749769e-05
+m/z = 334.33	-0.000179650955399357	3.79127841471271e-06
+m/z = 334.42	-2.19948297461305e-18	4.28442044661689e-18
+m/z = 334.5	1.49916018313078e-18	-2.96792796694817e-18
+m/z = 334.58	4.27792139030343e-15	-3.88307907143461e-15
+m/z = 334.67	-1.58145314840291e-06	3.33743229117094e-08
+m/z = 334.75	-6.5553418684e-07	1.38341184698587e-08
+m/z = 334.83	-0.00704388991919769	-0.000233855877815846
+m/z = 334.92	-0.0338415622600729	-0.00112355624005388
+m/z = 335	-0.0138403304706175	-0.000459505667769265
+m/z = 335.08	-0.00165300051262059	-5.48804167636838e-05
+m/z = 335.17	-5.35328650883997e-11	1.12973233166406e-12
+m/z = 335.25	-0.000677475573894172	0.000773099298484868
 m/z = 335.33	-0.0116678048641373	0.0133146834422584
-m/z = 335.42	-0.0106313535976181	0.0121299915478722
-m/z = 335.5	-0.00238413556227816	0.00271856800674217
-m/z = 335.58	-6.03880622718142e-05	6.84790578858133e-05
-m/z = 335.67	-2.59873893042797e-09	-8.6279389633361e-11
-m/z = 335.75	-7.75537307322629e-15	1.65203630172636e-16
-m/z = 335.83	-2.87848120942788e-15	5.90661246664336e-17
-m/z = 335.92	-1.00608803941967e-06	1.14809460150868e-06
-m/z = 336	-3.7701347266993e-07	4.30020008194881e-07
-m/z = 336.08	-4.45308815296727e-08	5.07453593420765e-08
-m/z = 336.17	-6.31309658702092e-12	-2.09598072267336e-13
-m/z = 336.25	1.38015619137088e-20	1.59398671169816e-19
-m/z = 336.33	-1.479315117057e-18	-6.2150968834011e-19
-m/z = 336.42	-4.68812318072698e-11	5.34983863198297e-11
-m/z = 336.5	-4.84507297952486e-11	5.52775169594728e-11
-m/z = 336.58	-9.9948287186193e-12	1.13961457220866e-11
-m/z = 336.67	-0.000711245042556579	-2.36136794637464e-05
-m/z = 336.75	-0.0187131563108301	-0.000621285843205263
-m/z = 336.83	-0.0231267944395531	-0.000767820764458479
-m/z = 336.92	-0.0050190352143889	-0.000166634397396866
-m/z = 337	-0.00953031481787748	-0.000316411062846895
-m/z = 337.08	-0.026948185796088	-0.000894692806335883
-m/z = 337.17	-0.0104463541605011	-0.0003468240122201
-m/z = 337.25	-0.00128153018032499	-4.25474220089427e-05
-m/z = 337.33	-1.83824970744814e-18	-6.78283694163988e-19
-m/z = 337.42	2.51752979319808e-18	1.11049343940243e-18
-m/z = 337.5	1.23499633042901e-18	9.9578666646214e-19
-m/z = 337.58	-1.14353261382379e-06	-3.79658360353421e-08
-m/z = 337.67	-1.32715454325495e-06	-4.40621729328172e-08
-m/z = 337.75	-2.80908263033797e-07	-9.32629023974586e-09
-m/z = 337.83	-3.2546576516048e-09	-1.08056209660993e-10
-m/z = 337.92	-1.54500680387118e-18	-6.68095607827205e-19
-m/z = 338	4.41779801368905e-19	2.02061693266176e-19
-m/z = 338.08	2.71961279729549e-18	1.14498852530712e-18
-m/z = 338.17	-1.30897242514399e-10	-4.34585316912785e-12
-m/z = 338.25	-4.5652810356766e-11	-1.51569507867149e-12
-m/z = 338.33	-4.92061127783715e-12	-1.63367284146224e-13
-m/z = 338.42	3.65501808331556e-19	1.60086505170639e-19
-m/z = 338.5	1.50851828211316e-18	5.54466141507332e-19
-m/z = 338.58	8.2617646985963e-19	3.48453269795693e-19
-m/z = 338.67	-7.17987132074013e-15	-2.38493579777141e-16
-m/z = 338.75	-6.01866635277062e-15	-2.00342507708345e-16
-m/z = 338.83	-1.16642021965888e-15	-3.71551487296201e-17
-m/z = 338.92	-5.06488827037517e-19	-1.96610014036303e-19
-m/z = 339	-1.9448120412771e-18	-9.97256076079952e-19
-m/z = 339.08	-1.52944473867715e-18	-6.80301434055043e-19
-m/z = 339.17	3.60003081297667e-19	1.63357246379024e-19
-m/z = 339.25	-4.00078314514654e-18	-1.07336550384706e-18
-m/z = 339.33	-0.00257118196068512	0.00313942602593873
-m/z = 339.42	-0.0104986310597989	0.0128188810009693
-m/z = 339.5	-0.00370630493998026	0.00452541685752137
-m/z = 339.58	-0.000337510863690567	0.000412102451599687
-m/z = 339.67	2.91857625975477e-19	1.17448061203296e-19
-m/z = 339.75	1.89983164614477e-18	9.96849003052174e-19
-m/z = 339.83	-0.00100162654186768	0.00122299101420753
-m/z = 339.92	-0.00549371043128663	0.00670784789667574
-m/z = 340	-0.0021538424102977	0.00262985234886194
-m/z = 340.08	-0.000198843261174981	0.000242788615804121
-m/z = 340.17	-1.0344072367251e-19	-4.67222577746081e-20
-m/z = 340.25	-3.52071955004515e-19	-1.39293860993092e-19
-m/z = 340.33	5.02580426299089e-19	2.26281241506418e-19
-m/z = 340.42	-4.45608138652833e-07	5.4408976464632e-07
-m/z = 340.5	-2.94511476668595e-07	3.59599985117194e-07
-m/z = 340.58	-5.24002177620362e-08	6.39809278105976e-08
-m/z = 340.67	1.33122140498665e-18	5.10651319885349e-19
-m/z = 340.75	8.90722843276145e-19	3.3399432676778e-19
-m/z = 340.83	1.77251991124957e-18	7.39885918488215e-19
-m/z = 340.92	-1.87615080639398e-18	-7.90920968648213e-19
-m/z = 341	-3.22206301616578e-11	3.93415503445478e-11
-m/z = 341.08	-9.29237469517528e-12	1.13460317274744e-11
-m/z = 341.17	-7.12688045762791e-13	8.70195665223804e-13
-m/z = 341.25	6.37175032224635e-19	2.55748922769122e-19
-m/z = 341.33	1.32636903389095e-18	6.36154943703581e-19
-m/z = 341.42	-2.43148731472621e-18	-1.00934056686727e-18
-m/z = 341.5	-2.38940041953788e-15	2.9158994902756e-15
-m/z = 341.58	-1.31756588698359e-15	1.60794989621212e-15
-m/z = 341.67	-2.13501376173097e-16	2.61225506653518e-16
-m/z = 341.75	1.35717281054831e-19	6.89215143039179e-20
-m/z = 341.83	1.40431009333605e-18	5.38312486753954e-19
-m/z = 341.92	-3.73946898353422e-18	-1.45075344766838e-18
-m/z = 342	-1.35897885345129e-19	-6.26433649664213e-20
-m/z = 342.08	1.20611718181392e-18	7.99126347485353e-19
-m/z = 342.17	-1.25395046129415e-18	-4.33459831632685e-19
-m/z = 342.25	0.0003875487991936	-0.0123419596324185
-m/z = 342.33	0.00422195774641186	-0.134453344157986
-m/z = 342.42	0.00264818267914434	-0.0843345761702179
-m/z = 342.5	0.000498056763873658	-0.0158612192507683
-m/z = 342.58	-1.13736111851043e-18	-5.47250801735984e-19
-m/z = 342.67	-1.93434166280719e-18	-8.5730315630848e-19
-m/z = 342.75	3.02238919360761e-18	1.05968099453126e-18
-m/z = 342.83	-0.000458871698274944	-1.52347623912484e-05
-m/z = 342.92	-0.011699936360107	-0.00115469893416553
-m/z = 343	0.0369313898986383	-0.00172750910745765
-m/z = 343.08	0.133775156809847	0.0234784434513579
-m/z = 343.17	0.0685447869502919	0.0150861784711471
-m/z = 343.25	0.0112636061104167	0.00281749972583106
-m/z = 343.33	-3.92325213194282e-18	-1.70472651746383e-18
-m/z = 343.42	1.9321953200464e-11	-6.15330937721874e-10
-m/z = 343.5	-1.27833404616126e-06	-4.28204136761821e-08
-m/z = 343.58	-0.00020941261659437	0.000320464941611636
-m/z = 343.67	0.00972962402902614	0.0334602019683382
-m/z = 343.75	0.102947570420508	0.0917989250115397
-m/z = 343.83	0.0816842646348893	-0.0403114853985634
-m/z = 343.92	0.122275972359942	-0.191630292205936
-m/z = 344	0.238693266432579	-0.0532308782366611
-m/z = 344.08	0.121629480981159	0.00774919279364589
-m/z = 344.17	0.0197631414633356	0.00357569185410462
-m/z = 344.25	0.00300566488143967	-0.0957852114890661
-m/z = 344.33	0.00485055822244276	-0.159529009816649
-m/z = 344.42	-0.000519735785411571	-0.0336187447171068
-m/z = 344.5	0.0441217507738694	0.0347879676081467
-m/z = 344.58	0.0619903564301949	0.0325612013047587
-m/z = 344.67	0.0491002434549598	0.0334026313033201
-m/z = 344.75	0.0657422476457328	-0.0996544391750202
-m/z = 344.83	0.0646294333256924	-0.0712833982006467
-m/z = 344.92	-0.0189880715451461	0.0787175501897141
-m/z = 345	0.00788025602178317	-0.092641964570564
-m/z = 345.08	-0.0288135803504022	-0.317965632912922
-m/z = 345.17	-0.0608780945154874	-0.271623033971731
-m/z = 345.25	-0.0249605340635759	-0.0782102819195408
-m/z = 345.33	-0.00301634360443319	-0.00564391011418583
-m/z = 345.42	-2.22538992415741e-19	-9.06125441784349e-20
+m/z = 335.42	-0.0106313535976181	0.0121299915478721
+m/z = 335.5	-0.00238413556227817	0.00271856800674216
+m/z = 335.58	-6.03880622718113e-05	6.84790578858064e-05
+m/z = 335.67	-2.59873892931221e-09	-8.62793928511323e-11
+m/z = 335.75	-7.75838305412619e-15	1.61333277100636e-16
+m/z = 335.83	-2.87405522434015e-15	5.80595887160177e-17
+m/z = 335.92	-1.00608803941745e-06	1.14809460150015e-06
+m/z = 336	-3.77013472669637e-07	4.30020008197142e-07
+m/z = 336.08	-4.45308815275593e-08	5.07453593361072e-08
+m/z = 336.17	-6.31309588877308e-12	-2.09597938716104e-13
+m/z = 336.25	-1.47976452321347e-18	2.1507374214481e-18
+m/z = 336.33	-1.39435541724334e-20	-7.00230463908735e-19
+m/z = 336.42	-4.6881231947169e-11	5.34983905974045e-11
+m/z = 336.5	-4.84507309055253e-11	5.5277516298621e-11
+m/z = 336.58	-9.99482662480436e-12	1.13961437989306e-11
+m/z = 336.67	-0.000711245042556581	-2.36136794637479e-05
+m/z = 336.75	-0.0187131563108301	-0.000621285843205386
+m/z = 336.83	-0.0231267944395531	-0.000767820764458618
+m/z = 336.92	-0.00501903521438892	-0.000166634397396897
+m/z = 337	-0.00953031481787751	-0.000316411062846948
+m/z = 337.08	-0.0269481857960881	-0.000894692806336051
+m/z = 337.17	-0.0104463541605011	-0.00034682401222018
+m/z = 337.25	-0.00128153018032499	-4.25474220089563e-05
+m/z = 337.33	7.94888757752793e-19	-1.58857937670005e-18
+m/z = 337.42	-4.59901880489022e-19	9.35045558966008e-19
+m/z = 337.5	4.21510974232015e-18	-8.57298175938022e-18
+m/z = 337.58	-1.14353261382659e-06	-3.79658360321105e-08
+m/z = 337.67	-1.32715454325198e-06	-4.40621729342847e-08
+m/z = 337.75	-2.80908263033374e-07	-9.32629024303685e-09
+m/z = 337.83	-3.25465764495523e-09	-1.08056214588174e-10
+m/z = 337.92	2.76442199411816e-18	-4.98663226658663e-18
+m/z = 338	-1.06408921934573e-19	2.17067153070774e-19
+m/z = 338.08	-9.09275961903443e-19	1.80922996019493e-18
+m/z = 338.17	-1.30897235499873e-10	-4.34585935648352e-12
+m/z = 338.25	-4.56528093821544e-11	-1.51569918558029e-12
+m/z = 338.33	-4.92061057357128e-12	-1.63364464665173e-13
+m/z = 338.42	8.01756641277191e-19	-1.6146927965541e-18
+m/z = 338.5	-4.15987902206696e-18	8.49736173496124e-18
+m/z = 338.58	-2.39089753790384e-18	5.25610124037681e-18
+m/z = 338.67	-7.18065816093277e-15	-2.36028017286419e-16
+m/z = 338.75	-6.0170835886956e-15	-1.99749838158353e-16
+m/z = 338.83	-1.17081374067575e-15	-3.77268760084377e-17
+m/z = 338.92	1.36499171395688e-18	-2.82175688090393e-18
+m/z = 339	-1.14580657139001e-18	2.48593892300026e-18
+m/z = 339.08	-2.5289457749563e-18	5.3438566247674e-18
+m/z = 339.17	-1.97620958234151e-18	4.34926478919615e-18
+m/z = 339.25	1.01663934605953e-18	-3.42627174289353e-18
+m/z = 339.33	-0.00257118196068514	0.00313942602593874
+m/z = 339.42	-0.010498631059799	0.0128188810009694
+m/z = 339.5	-0.00370630493998029	0.00452541685752141
+m/z = 339.58	-0.000337510863690573	0.000412102451599695
+m/z = 339.67	2.49263405825478e-18	-5.15640095435064e-18
+m/z = 339.75	-7.0080561939075e-19	1.32067935773673e-18
+m/z = 339.83	-0.00100162654186769	0.00122299101420754
+m/z = 339.92	-0.00549371043128667	0.00670784789667579
+m/z = 340	-0.00215384241029772	0.00262985234886196
+m/z = 340.08	-0.000198843261174982	0.000242788615804122
+m/z = 340.17	2.23972423220155e-18	-4.36755561369607e-18
+m/z = 340.25	9.0744542413256e-19	-2.01166018463832e-18
+m/z = 340.33	6.58257668497744e-19	-1.31207533519768e-18
+m/z = 340.42	-4.45608138655974e-07	5.44089764655367e-07
+m/z = 340.5	-2.94511476674332e-07	3.59599985125591e-07
+m/z = 340.58	-5.24002177635346e-08	6.39809278091995e-08
+m/z = 340.67	1.85415164479615e-18	-4.18206904672749e-18
+m/z = 340.75	3.59342955137628e-18	-7.84654574837671e-18
+m/z = 340.83	-9.33791378673967e-19	2.20193664434147e-18
+m/z = 340.92	2.13936951706388e-18	-4.41241589306151e-18
+m/z = 341	-3.2220634215163e-11	3.93415590959589e-11
+m/z = 341.08	-9.2923703895743e-12	1.13460293524117e-11
+m/z = 341.17	-7.12688254650164e-13	8.70196076232593e-13
+m/z = 341.25	-7.87441372170756e-18	1.58293500639271e-17
+m/z = 341.33	2.10994952025933e-18	-4.58987384500465e-18
+m/z = 341.42	-5.52268221645583e-19	1.07613106105609e-18
+m/z = 341.5	-2.38619751140873e-15	2.9119681601905e-15
+m/z = 341.58	-1.31769688883611e-15	1.60939454498144e-15
+m/z = 341.67	-2.12110517029224e-16	2.57416659133148e-16
+m/z = 341.75	-1.40610790083568e-19	3.0063300336811e-19
+m/z = 341.83	5.50074005517338e-19	-1.11836886768701e-18
+m/z = 341.92	2.05388686310506e-18	-4.50631722940337e-18
+m/z = 342	-2.1520433162804e-20	4.18753755068177e-20
+m/z = 342.08	-1.97797945804669e-18	4.24935501967985e-18
+m/z = 342.17	-2.85833514363315e-18	5.72401642658759e-18
+m/z = 342.25	0.000387548799193645	-0.0123419596324185
+m/z = 342.33	0.00422195774641229	-0.134453344157987
+m/z = 342.42	0.00264818267914462	-0.084334576170218
+m/z = 342.5	0.000498056763873715	-0.0158612192507684
+m/z = 342.58	4.68836337125859e-18	-1.00886417529637e-17
+m/z = 342.67	1.65825457037889e-18	-3.50629071381007e-18
+m/z = 342.75	1.93813778685519e-18	-3.6782304404893e-18
+m/z = 342.83	-0.000458871698274944	-1.52347623912507e-05
+m/z = 342.92	-0.011699936360107	-0.00115469893416563
+m/z = 343	0.0369313898986381	-0.00172750910745768
+m/z = 343.08	0.133775156809847	0.0234784434513581
+m/z = 343.17	0.0685447869502918	0.0150861784711472
+m/z = 343.25	0.0112636061104166	0.00281749972583108
+m/z = 343.33	-2.26790836947215e-18	4.74704064293157e-18
+m/z = 343.42	1.93219545318132e-11	-6.15330940570641e-10
+m/z = 343.5	-1.27833404616236e-06	-4.28204136753112e-08
+m/z = 343.58	-0.00020941261659437	0.000320464941611632
+m/z = 343.67	0.00972962402902607	0.0334602019683382
+m/z = 343.75	0.102947570420508	0.0917989250115401
+m/z = 343.83	0.0816842646348894	-0.0403114853985631
+m/z = 343.92	0.122275972359943	-0.191630292205936
+m/z = 344	0.238693266432579	-0.0532308782366606
+m/z = 344.08	0.121629480981159	0.00774919279364609
+m/z = 344.17	0.0197631414633356	0.00357569185410466
+m/z = 344.25	0.00300566488144	-0.0957852114890662
+m/z = 344.33	0.00485055822244328	-0.15952900981665
+m/z = 344.42	-0.000519735785411468	-0.0336187447171067
+m/z = 344.5	0.0441217507738693	0.034787967608147
+m/z = 344.58	0.0619903564301949	0.032561201304759
+m/z = 344.67	0.0491002434549599	0.0334026313033205
+m/z = 344.75	0.0657422476457333	-0.0996544391750199
+m/z = 344.83	0.0646294333256926	-0.0712833982006468
+m/z = 344.92	-0.0189880715451464	0.078717550189714
+m/z = 345	0.00788025602178361	-0.0926419645705638
+m/z = 345.08	-0.0288135803504012	-0.317965632912922
+m/z = 345.17	-0.0608780945154866	-0.271623033971732
+m/z = 345.25	-0.0249605340635757	-0.078210281919541
+m/z = 345.33	-0.00301634360443317	-0.00564391011418585
+m/z = 345.42	-2.58421417070146e-18	5.11322274676083e-18
 m/z = 345.5	0.0113323055185911	-0.010283735355908
-m/z = 345.58	0.00953992090881889	-0.00864869146828241
-m/z = 345.67	0.00191001734245814	-0.00175502319531809
-m/z = 345.75	-3.47337363605014e-06	-1.08170095856881e-05
-m/z = 345.83	9.42317768186259e-05	-0.0030236561773945
-m/z = 345.92	0.00550337194554659	-0.0825693350890672
-m/z = 346	0.0665813771731435	-0.185975070484974
-m/z = 346.08	0.170159889961157	-0.0476394761885031
-m/z = 346.17	0.0813712533835148	0.00729092541579654
-m/z = 346.25	0.0127405121480917	0.00323261511766379
-m/z = 346.33	-1.22794800165969e-10	8.45327955126467e-11
-m/z = 346.42	-1.26108645637764e-11	8.214777326483e-12
-m/z = 346.5	1.33913150672535e-07	-4.26462603749079e-06
-m/z = 346.58	-0.000446994355622206	0.000536417275379617
-m/z = 346.67	-0.00390695432088851	0.00478179926557778
-m/z = 346.75	0.00233831205192569	-0.00121912330879652
-m/z = 346.83	0.0361999101534465	0.0204192074045562
-m/z = 346.92	0.0847924699358765	0.0444118229557186
-m/z = 347	0.0341310439477242	0.0138818169685896
-m/z = 347.08	0.00553337378085634	-0.0341797213346733
-m/z = 347.17	0.00214802301884037	-0.0684063903892823
-m/z = 347.25	0.000725851827651946	-0.0231234680735486
-m/z = 347.33	7.47717020824668e-05	-0.00238328609614253
-m/z = 347.42	3.19103341964746e-06	2.95447359478076e-06
-m/z = 347.5	4.28235916503716e-06	1.90585047842337e-06
-m/z = 347.58	9.32030608022786e-07	3.3569260114323e-07
-m/z = 347.67	1.35272696440983e-07	-3.983570391834e-06
-m/z = 347.75	9.67748577766537e-08	-3.08254769487688e-06
-m/z = 347.83	1.83150680129179e-08	-5.83571557232145e-07
-m/z = 347.92	-3.08377133446934e-11	8.53329388688193e-11
-m/z = 348	4.14190024518664e-10	2.09591632645512e-10
-m/z = 348.08	1.49471143569788e-10	5.98457712853411e-11
-m/z = 348.17	1.71477846568087e-11	4.28937936031617e-12
-m/z = 348.25	1.02372632603601e-11	-3.26025909566412e-10
-m/z = 348.33	3.14607571530271e-12	-1.00226869158952e-10
-m/z = 348.42	2.7702344375258e-13	-8.80185726023564e-12
-m/z = 348.5	2.1103057688628e-14	1.57436623118015e-14
-m/z = 348.58	1.94650776788865e-14	8.51701846212877e-15
-m/z = 348.67	3.89526081974689e-15	1.36836227731665e-15
-m/z = 348.75	6.99237824664656e-16	-2.21839235490881e-14
-m/z = 348.83	4.36315786201198e-16	-1.38487776677089e-14
-m/z = 348.92	7.51880125930125e-17	-2.40047910767385e-15
-m/z = 349	5.92247877453639e-19	9.28862507883486e-19
-m/z = 349.08	-3.57902653752001e-19	8.95207211037243e-20
-m/z = 349.17	2.67140033577573e-18	1.10902146504004e-18
-m/z = 349.25	-1.13763835321212e-18	-6.02179355496353e-19
-m/z = 349.33	1.83835317103383e-19	-1.47581027919142e-18
-m/z = 349.42	-1.833658241519e-19	-5.20210197738456e-19
-m/z = 349.5	-1.38101541439006e-18	-5.9443985140411e-19
-m/z = 349.58	4.45491616115928e-19	1.69810226124805e-19
-m/z = 349.67	-2.14069325816075e-18	-8.28348388821767e-19
-m/z = 349.75	1.18211511810132e-18	5.16037508463472e-19
-m/z = 349.83	7.07967452777935e-19	2.89293141537562e-19
-m/z = 349.92	-8.55044265002402e-19	-3.98961584831771e-19
-m/z = 350	0.000772638112681827	-0.000701146458121259
-m/z = 350.08	0.009027197979201	-0.00819191777623662
-m/z = 350.17	0.00751094218475036	-0.00681596005109307
-m/z = 350.25	0.00162988041838487	-0.00147906874350935
-m/z = 350.33	2.86988272221096e-05	-2.60433451686356e-05
-m/z = 350.42	2.2153391793207e-19	8.3240137631775e-20
-m/z = 350.5	-1.2338960604179e-18	-6.62338593938136e-19
-m/z = 350.58	8.92965273565286e-19	3.63256855121667e-19
-m/z = 350.67	7.27986760607519e-07	-6.60626663870018e-07
-m/z = 350.75	2.61758701327107e-07	-2.37538355026064e-07
-m/z = 350.83	2.93810216274702e-08	-2.66624166100625e-08
-m/z = 350.92	1.46528030506007e-18	6.06953995472787e-19
-m/z = 351	2.16599834949603e-18	9.83513892726855e-19
-m/z = 351.08	-1.85306229890561e-18	-7.25465608591537e-19
-m/z = 351.17	3.74150806261488e-11	-3.39530887662804e-11
-m/z = 351.25	3.41274589288255e-11	-3.0969665533372e-11
-m/z = 351.33	6.80873457982818e-12	-6.17872590394865e-12
-m/z = 351.42	-4.64235694839767e-19	-1.58947566930291e-19
-m/z = 351.5	-2.94436025272501e-19	-1.16422920881692e-19
-m/z = 351.58	3.42959594137948e-19	1.61343316850224e-19
-m/z = 351.67	-1.14401445886185e-18	-5.03284190452113e-19
-m/z = 351.75	3.4967905505535e-15	-3.17533926174741e-15
-m/z = 351.83	1.1363401924542e-15	-1.03467738251959e-15
-m/z = 351.92	1.10874155479578e-16	-1.00398628195875e-16
-m/z = 352	-2.08955398704904e-18	-6.88094592603795e-19
-m/z = 352.08	4.27567732552185e-18	1.37177326373602e-18
-m/z = 352.17	1.95456887529885e-18	7.59124129745803e-19
-m/z = 352.25	2.81375053260719e-18	8.40729212216774e-19
-m/z = 352.33	9.9616461516655e-19	1.99901307128618e-19
-m/z = 352.42	6.81523362874956e-19	3.07988469070032e-19
-m/z = 352.5	1.58200118668262e-18	6.95975670596581e-19
-m/z = 352.58	-3.105424373987e-18	-1.59325367579077e-18
-m/z = 352.67	-5.27835692181688e-18	-2.17078089949436e-18
-m/z = 352.75	1.99372714507686e-18	7.23164877611349e-19
-m/z = 352.83	-1.11294150487366e-18	-5.42127461510507e-19
-m/z = 352.92	-0.00069779566527233	-2.31671536903047e-05
-m/z = 353	-0.0151448494566658	-0.000502816329250448
-m/z = 353.08	-0.0188303043852377	-0.000625175215953466
-m/z = 353.17	-0.00478556414460952	-0.000158883044923633
-m/z = 353.25	-0.00025118611179135	-8.33950043881269e-06
-m/z = 353.33	1.62382720231379e-18	6.01787178989742e-19
-m/z = 353.42	-2.14471847115799e-18	-6.85738316122356e-19
-m/z = 353.5	1.75701703374968e-18	6.8590546961399e-19
-m/z = 353.58	-1.60180650773946e-06	-5.3180751034097e-08
-m/z = 353.67	-7.15238875009674e-07	-2.37462766916783e-08
-m/z = 353.75	-1.00343943740432e-07	-3.33146748017489e-09
-m/z = 353.83	2.68256852667427e-18	1.01205474113531e-18
-m/z = 353.92	1.79543930048093e-18	7.16439265921136e-19
-m/z = 354	1.55679280338975e-18	7.7344942777093e-19
-m/z = 354.08	-3.78583345187766e-11	-1.2569150040031e-12
-m/z = 354.17	-8.6843762358855e-11	-2.88325456598912e-12
-m/z = 354.25	-2.02963692360641e-11	-6.7384974910992e-13
-m/z = 354.33	-7.0372668410147e-13	-2.33640329069827e-14
-m/z = 354.42	1.15085497677305e-18	4.23428603054628e-19
-m/z = 354.5	1.7796929923031e-19	6.4302785857021e-20
-m/z = 354.58	1.5787137223488e-18	7.73859538910314e-19
-m/z = 354.67	-7.95368992797973e-15	-2.63975415178846e-16
-m/z = 354.75	-3.14777381657512e-15	-1.03996754973947e-16
-m/z = 354.83	-3.95358090229676e-16	-1.32507736044867e-17
-m/z = 354.92	-1.25197172857116e-18	-4.85495310699333e-19
-m/z = 355	-0.000208567574606225	-6.92454438482365e-06
-m/z = 355.08	-0.0119576491292794	-0.000396999736369303
-m/z = 355.17	-0.0206964666143008	-0.000687132704833646
-m/z = 355.25	-0.00554091312286179	-0.0250939772942596
-m/z = 355.33	0.00429977811522537	-0.154413617437976
-m/z = 355.42	0.00285988773971801	-0.091076579543769
-m/z = 355.5	0.000520381655927137	-0.0165721824045581
-m/z = 355.58	-9.66459161628153e-19	-4.14090227500774e-19
-m/z = 355.67	-1.42128515729634e-06	-4.71873548598881e-08
-m/z = 355.75	0.000494675044133233	0.000123928941849848
-m/z = 355.83	0.0350969177430898	0.00877924207629003
-m/z = 355.92	0.0657573097694268	0.0164387337609207
-m/z = 356	0.0213810704334824	0.00534537379937857
-m/z = 356.08	0.00207388964809947	0.000518530371750872
-m/z = 356.17	7.63220093924786e-19	3.08000804481696e-19
-m/z = 356.25	-9.74037269277053e-11	-3.23385028763973e-12
-m/z = 356.33	-2.72120011950272e-11	-9.03450304868618e-13
-m/z = 356.42	4.10262806535431e-06	1.02552488529159e-06
-m/z = 356.5	2.89168603728733e-06	7.22920645422795e-07
-m/z = 356.58	5.28617351562502e-07	1.3216098080256e-07
-m/z = 356.67	-2.36266828375324e-18	-1.17761217485262e-18
-m/z = 356.75	-7.50090014958049e-15	-2.49033766444064e-16
-m/z = 356.83	-0.00793579808231562	-0.000263472335782543
-m/z = 356.92	-0.0289887760884989	-0.000962441391311859
-m/z = 357	-0.0133832769146884	-0.000444331200976346
-m/z = 357.08	-0.00191048643980592	-6.3429054082129e-05
-m/z = 357.17	7.53673797011698e-12	1.88444165793839e-12
+m/z = 345.58	0.0095399209088189	-0.00864869146828234
+m/z = 345.67	0.00191001734245813	-0.00175502319531808
+m/z = 345.75	-3.4733736360433e-06	-1.08170095856952e-05
+m/z = 345.83	9.42317768186343e-05	-0.00302365617739451
+m/z = 345.92	0.00550337194554684	-0.0825693350890673
+m/z = 346	0.066581377173144	-0.185975070484974
+m/z = 346.08	0.170159889961157	-0.0476394761885028
+m/z = 346.17	0.0813712533835147	0.00729092541579668
+m/z = 346.25	0.0127405121480917	0.00323261511766381
+m/z = 346.33	-1.22794799054323e-10	8.45327923108009e-11
+m/z = 346.42	-1.26108610492889e-11	8.21476778795967e-12
+m/z = 346.5	1.33913150670194e-07	-4.26462603748786e-06
+m/z = 346.58	-0.000446994355622208	0.00053641727537962
+m/z = 346.67	-0.00390695432088853	0.00478179926557781
+m/z = 346.75	0.00233831205192568	-0.00121912330879647
+m/z = 346.83	0.0361999101534463	0.0204192074045564
+m/z = 346.92	0.0847924699358762	0.0444118229557188
+m/z = 347	0.0341310439477241	0.0138818169685897
+m/z = 347.08	0.00553337378085645	-0.0341797213346733
+m/z = 347.17	0.0021480230188406	-0.0684063903892824
+m/z = 347.25	0.00072585182765202	-0.0231234680735487
+m/z = 347.33	7.47717020824761e-05	-0.00238328609614253
+m/z = 347.42	3.19103341964994e-06	2.95447359477885e-06
+m/z = 347.5	4.28235916503555e-06	1.90585047842687e-06
+m/z = 347.58	9.32030608025274e-07	3.3569260113998e-07
+m/z = 347.67	1.35272696442331e-07	-3.98357039182967e-06
+m/z = 347.75	9.67748577735372e-08	-3.08254769487466e-06
+m/z = 347.83	1.83150680146187e-08	-5.8357155723354e-07
+m/z = 347.92	-3.08377128140564e-11	8.53329430179153e-11
+m/z = 348	4.14190020049953e-10	2.09591635017287e-10
+m/z = 348.08	1.4947114244755e-10	5.98457735288254e-11
+m/z = 348.17	1.71477809632913e-11	4.2893870423917e-12
+m/z = 348.25	1.02372674604369e-11	-3.26025917265651e-10
+m/z = 348.33	3.14607643757454e-12	-1.00226873943632e-10
+m/z = 348.42	2.77026731670268e-13	-8.80186258493303e-12
+m/z = 348.5	2.11031800191524e-14	1.57445355363636e-14
+m/z = 348.58	1.94598841318505e-14	8.5221385630875e-15
+m/z = 348.67	3.89139405849484e-15	1.37504552390973e-15
+m/z = 348.75	6.95744966973678e-16	-2.21830274169437e-14
+m/z = 348.83	4.33103111273066e-16	-1.38457941630246e-14
+m/z = 348.92	7.56067563708741e-17	-2.40097306907674e-15
+m/z = 349	-1.13760683337535e-18	2.55150260251971e-18
+m/z = 349.08	1.28065160645032e-18	2.37780987332733e-18
+m/z = 349.17	1.96715790645706e-18	-2.51845384191607e-18
+m/z = 349.25	6.29298327283855e-19	-1.13909558399454e-18
+m/z = 349.33	2.86027104515014e-19	-2.06650580061759e-18
+m/z = 349.42	-2.53861037228761e-18	4.5622075486469e-18
+m/z = 349.5	1.71744112681525e-18	-4.22360271586197e-18
+m/z = 349.58	3.82142719184595e-18	-7.99849903369786e-18
+m/z = 349.67	-1.5971068139466e-18	2.78196814927163e-18
+m/z = 349.75	1.61057063890667e-18	-3.03819613280394e-18
+m/z = 349.83	8.23131783174431e-19	-1.82077512679949e-18
+m/z = 349.92	-1.6296689855549e-18	3.73645309886749e-18
+m/z = 350	0.000772638112681828	-0.000701146458121257
+m/z = 350.08	0.009027197979201	-0.00819191777623656
+m/z = 350.17	0.00751094218475036	-0.00681596005109302
+m/z = 350.25	0.00162988041838487	-0.00147906874350934
+m/z = 350.33	2.86988272221085e-05	-2.60433451686335e-05
+m/z = 350.42	2.61386366650514e-19	-5.55852033348257e-19
+m/z = 350.5	2.13995015261745e-18	-4.44916732088209e-18
+m/z = 350.58	2.71296208008486e-18	-5.48293174192686e-18
+m/z = 350.67	7.27986760608633e-07	-6.60626663870618e-07
+m/z = 350.75	2.61758701322416e-07	-2.37538355019162e-07
+m/z = 350.83	2.93810216261436e-08	-2.66624166095913e-08
+m/z = 350.92	-3.14101812414488e-19	6.60078341493587e-19
+m/z = 351	-6.22726887842656e-19	1.40435141673225e-18
+m/z = 351.08	6.81165902418646e-19	-1.47845816591936e-18
+m/z = 351.17	3.74150824813277e-11	-3.39530943045834e-11
+m/z = 351.25	3.41274508987358e-11	-3.09696567277935e-11
+m/z = 351.33	6.808734422664e-12	-6.17872780938033e-12
+m/z = 351.42	5.66328660315979e-19	-1.16795808691562e-18
+m/z = 351.5	3.42813238228389e-18	-7.41038850742368e-18
+m/z = 351.58	4.61624414644417e-19	-9.09309591965222e-19
+m/z = 351.67	4.49699373421482e-19	-9.97320781960252e-19
+m/z = 351.75	3.4988538291195e-15	-3.17566644150988e-15
+m/z = 351.83	1.14230298594455e-15	-1.04110000574825e-15
+m/z = 351.92	1.07409650112583e-16	-9.40120333737512e-17
+m/z = 352	-3.31290278838341e-18	6.98846683801753e-18
+m/z = 352.08	-1.30344415787009e-18	2.31132119908789e-18
+m/z = 352.17	1.98916025805377e-18	-4.60276566164645e-18
+m/z = 352.25	-1.12373228092941e-18	2.48599093198128e-18
+m/z = 352.33	6.28045909597378e-19	-1.11226463665788e-18
+m/z = 352.42	6.03110354545923e-19	-1.19923962783933e-18
+m/z = 352.5	-2.60830323402735e-18	5.36281932671988e-18
+m/z = 352.58	2.33599187378199e-18	-4.9432317542072e-18
+m/z = 352.67	9.61157557103381e-19	-1.94727120498628e-18
+m/z = 352.75	1.3521902926464e-18	-2.61623455193324e-18
+m/z = 352.83	-3.68007682555437e-20	7.35976324447784e-20
+m/z = 352.92	-0.000697795665272329	-2.31671536903151e-05
+m/z = 353	-0.0151448494566659	-0.00050281632925054
+m/z = 353.08	-0.0188303043852377	-0.000625175215953593
+m/z = 353.17	-0.00478556414460954	-0.000158883044923661
+m/z = 353.25	-0.000251186111791349	-8.33950043881834e-06
+m/z = 353.33	-1.13281299537701e-18	2.11362368851923e-18
+m/z = 353.42	4.58738077433721e-18	-9.431380168251e-18
+m/z = 353.5	6.30675625009022e-19	-1.23149863775313e-18
+m/z = 353.58	-1.60180650773864e-06	-5.31807510303553e-08
+m/z = 353.67	-7.15238875011624e-07	-2.374627669534e-08
+m/z = 353.75	-1.00343943739771e-07	-3.33146748010741e-09
+m/z = 353.83	2.88572402429297e-18	-5.89622695151985e-18
+m/z = 353.92	-1.71286668878086e-18	3.39879342332997e-18
+m/z = 354	3.45759276876678e-18	-7.06600095837396e-18
+m/z = 354.08	-3.785833395515e-11	-1.25691623602545e-12
+m/z = 354.17	-8.68437629616321e-11	-2.88325598904721e-12
+m/z = 354.25	-2.02963680303847e-11	-6.73849002994596e-13
+m/z = 354.33	-7.0372516335407e-13	-2.3367343558044e-14
+m/z = 354.42	-3.46226761877272e-18	7.19389941789176e-18
+m/z = 354.5	2.70420626990341e-18	-5.61536149684023e-18
+m/z = 354.58	-4.86056305560119e-19	1.09160344856451e-18
+m/z = 354.67	-7.94873476500875e-15	-2.74411727847578e-16
+m/z = 354.75	-3.14891613999578e-15	-1.0453529720325e-16
+m/z = 354.83	-3.96077148265634e-16	-1.08982565131249e-17
+m/z = 354.92	2.03204824803319e-18	-3.87955420746582e-18
+m/z = 355	-0.00020856757460623	-6.9245443848233e-06
+m/z = 355.08	-0.0119576491292794	-0.000396999736369376
+m/z = 355.17	-0.0206964666143008	-0.000687132704833768
+m/z = 355.25	-0.00554091312286172	-0.0250939772942597
+m/z = 355.33	0.00429977811522588	-0.154413617437976
+m/z = 355.42	0.00285988773971832	-0.0910765795437691
+m/z = 355.5	0.000520381655927193	-0.0165721824045581
+m/z = 355.58	2.39814163674176e-18	-5.39958274865934e-18
+m/z = 355.67	-1.42128515729742e-06	-4.71873548571926e-08
+m/z = 355.75	0.000494675044133232	0.000123928941849849
+m/z = 355.83	0.0350969177430897	0.00877924207629009
+m/z = 355.92	0.0657573097694266	0.0164387337609208
+m/z = 356	0.0213810704334823	0.00534537379937861
+m/z = 356.08	0.00207388964809947	0.000518530371750875
+m/z = 356.17	2.60048178897126e-18	-5.17706516682313e-18
+m/z = 356.25	-9.7403730030904e-11	-3.2338487882233e-12
+m/z = 356.33	-2.72120018009016e-11	-9.03457945717601e-13
+m/z = 356.42	4.10262806535637e-06	1.02552488528731e-06
+m/z = 356.5	2.89168603728769e-06	7.22920645419902e-07
+m/z = 356.58	5.28617351562448e-07	1.32160980803592e-07
+m/z = 356.67	1.91232658519276e-18	-3.78125702655369e-18
+m/z = 356.75	-7.50289855283921e-15	-2.44892238792926e-16
+m/z = 356.83	-0.00793579808231564	-0.000263472335782594
+m/z = 356.92	-0.028988776088499	-0.000962441391312056
+m/z = 357	-0.0133832769146884	-0.000444331200976431
+m/z = 357.08	-0.00191048643980593	-6.34290540821446e-05
+m/z = 357.17	7.53673878024359e-12	1.8844400835218e-12
 m/z = 357.25	-0.0213222775165506	0.0328278120929556
 m/z = 357.33	-0.0217014037441174	0.0334115154308571
-m/z = 357.42	-0.00505286988151877	0.00777845828330326
-m/z = 357.5	-0.000172495330031374	0.000263034665781976
-m/z = 357.58	-3.82591919207412e-07	-1.27022340117036e-08
-m/z = 357.67	-1.44280559465511e-08	-4.7901796933428e-10
-m/z = 357.75	2.86786297828871e-18	1.18288961785687e-18
-m/z = 357.83	-1.99394253963496e-06	3.0698770787679e-06
-m/z = 357.92	-7.85276581950584e-07	1.20901306407262e-06
-m/z = 358	-9.81289398650671e-08	1.50849522196242e-07
-m/z = 358.08	-5.89865563893472e-11	-1.95838118895301e-12
-m/z = 358.17	-7.54516274068243e-12	-2.50503157604367e-13
-m/z = 358.25	-1.9893353721885e-19	-9.22191207789851e-20
-m/z = 358.33	-8.06789846590722e-11	1.24213488766594e-10
-m/z = 358.42	-9.92385114522838e-11	1.52787767564853e-10
-m/z = 358.5	-2.12604907150559e-11	3.27240862235877e-11
-m/z = 358.58	-3.1483047640122e-13	4.73074513899271e-13
-m/z = 358.67	-1.61018941868294e-15	-5.26231758515587e-17
-m/z = 358.75	-3.13388212545504e-17	-1.64015074201177e-18
-m/z = 358.83	-6.80824400710695e-21	-3.22713644222112e-21
-m/z = 358.92	-9.70734199112746e-15	1.49469394311003e-14
-m/z = 359	-3.4323705058871e-15	5.28906366503475e-15
-m/z = 359.08	-3.76310948781861e-16	5.81975186511368e-16
-m/z = 359.17	6.67738760000273e-20	1.36081697137162e-19
-m/z = 359.25	1.22740166348351e-18	5.60808491500739e-19
-m/z = 359.33	7.35627743020126e-19	3.35023886326041e-19
-m/z = 359.42	-1.9010952133704e-18	1.77267782797202e-19
-m/z = 359.5	-2.22801083955429e-18	2.07057944541456e-20
-m/z = 359.58	1.5389917896562e-18	8.57746110718708e-19
-m/z = 359.67	-1.41100963177548e-18	-5.05215914464676e-19
-m/z = 359.75	-2.72712869043062e-18	-1.02711963233211e-18
-m/z = 359.83	-0.00518249518687777	0.00594918292502703
-m/z = 359.92	-0.019379736688715	0.0224278240498087
-m/z = 360	-0.00799491349682931	0.00930339448908937
-m/z = 360.08	-0.00104048007247355	0.00121690071582699
-m/z = 360.17	1.95830015477534e-18	8.07824261486273e-19
-m/z = 360.25	-4.92447956950605e-18	-1.92448277654487e-18
-m/z = 360.33	-1.33977997524414e-18	-5.65017540270991e-19
-m/z = 360.42	-7.37213600738893e-07	8.41269274933731e-07
-m/z = 360.5	-9.96659708995812e-07	1.15781914804621e-06
-m/z = 360.58	-2.20030069204758e-07	2.56558271992357e-07
-m/z = 360.67	-4.77018563890143e-09	5.78484857793062e-09
-m/z = 360.75	-1.08540438704267e-19	-4.82130501425206e-20
-m/z = 360.83	0.00900872739610198	0.00973019068169171
-m/z = 360.92	0.0242952064861724	0.0262408863502538
-m/z = 361	0.00994865992570258	0.0107453978538906
-m/z = 361.08	0.00128173666876805	0.00138438453635668
-m/z = 361.17	-4.04183288079137e-12	4.73162674094354e-12
-m/z = 361.25	-7.71710611786775e-19	-3.71499275736716e-19
-m/z = 361.33	-8.30360154131184e-19	-3.63643991400316e-19
-m/z = 361.42	8.92392152190879e-07	9.63859313516498e-07
-m/z = 361.5	1.24436986020286e-06	1.34402514134238e-06
-m/z = 361.58	2.72700992574787e-07	2.94540242121122e-07
-m/z = 361.67	5.43921605923162e-09	5.87481735374468e-09
-m/z = 361.75	-1.44919642595527e-17	1.55769207179304e-17
-m/z = 361.83	1.13482318096564e-18	4.8340764981271e-19
-m/z = 361.92	-7.56216290505767e-19	-3.15345561668199e-19
-m/z = 362	1.19756669611688e-10	1.29347375147744e-10
-m/z = 362.08	4.35917223958738e-11	4.70827636593866e-11
-m/z = 362.17	4.96944185989005e-12	5.36742027488659e-12
-m/z = 362.25	-1.18860482634073e-19	-2.48333741634582e-20
-m/z = 362.33	-2.38778370324365e-18	-1.02228837733575e-18
-m/z = 362.42	-2.83157067648905e-18	-1.02234023768274e-18
-m/z = 362.5	5.98466536430459e-15	6.46453911047314e-15
-m/z = 362.58	5.65512940813517e-15	6.11027472875869e-15
-m/z = 362.67	1.14234176336498e-15	1.2324494248023e-15
-m/z = 362.75	3.15111579242799e-19	1.26852855563709e-19
-m/z = 362.83	2.16784105720712e-18	1.20183681501962e-18
-m/z = 362.92	-2.53914432337467e-18	-1.16101074396922e-18
-m/z = 363	-7.31192424968773e-19	-2.61861109757086e-19
-m/z = 363.08	4.39328515369481e-19	5.41687798859063e-19
-m/z = 363.17	1.46055986981796e-18	8.20700905341497e-19
-m/z = 363.25	-7.70556447120473e-19	-3.35314961005399e-19
-m/z = 363.33	6.31725698988997e-19	2.49308671426575e-19
-m/z = 363.42	-3.64633436790848e-18	-1.24798819568986e-18
-m/z = 363.5	-6.7498587129604e-19	-2.76757060218988e-19
-m/z = 363.58	-7.87595207884765e-19	-3.31152043710169e-19
-m/z = 363.67	-1.90900231898625e-18	-8.76246341968374e-19
-m/z = 363.75	-5.70958225993575e-19	-2.11043850032362e-19
-m/z = 363.83	9.23345810010476e-19	3.30876987981139e-19
-m/z = 363.92	7.6189972588039e-19	2.66746992197314e-19
-m/z = 364	-2.60790458241159e-18	-1.06473826693649e-18
-m/z = 364.08	1.41486416541047e-18	6.34437232075781e-19
-m/z = 364.17	3.26706661328158e-18	1.15913978582383e-18
-m/z = 364.25	0.0219075072547786	0.0236619683976424
-m/z = 364.33	0.0425427135061707	0.0459497436575488
-m/z = 364.42	0.0115736123702206	0.0125004842844906
-m/z = 364.5	0.000571590774703614	0.000617366580785713
-m/z = 364.58	-4.31984451213456e-19	-2.06852167814057e-19
-m/z = 364.67	1.78951544716468e-18	7.26859494357601e-19
-m/z = 364.75	-4.51843506391963e-19	-2.02104246417644e-19
-m/z = 364.83	3.98902057401441e-06	4.30848099978743e-06
-m/z = 364.92	1.74124818968171e-06	1.8806959257198e-06
-m/z = 365	2.39657661947302e-07	2.58850628567063e-07
-m/z = 365.08	1.66865826125524e-18	6.20621651791397e-19
-m/z = 365.17	2.61898852769231e-18	1.18349227224749e-18
-m/z = 365.25	-1.09189232824628e-18	-4.41567212185457e-19
-m/z = 365.33	1.07012195335533e-10	1.15582258554968e-10
-m/z = 365.42	0.00279585055663687	0.000699359520369649
-m/z = 365.5	0.0715114667357542	0.0178880135193734
-m/z = 365.58	0.100018198915758	0.0250187413582422
-m/z = 365.67	0.0279608226610137	0.0069941730391798
-m/z = 365.75	0.000154791698729502	0.00273223728844255
-m/z = 365.83	-0.0121410218639652	0.0148242483822759
-m/z = 365.92	-0.00728268048573949	0.00889218927529778
-m/z = 366	-0.00183787424517965	0.00164736460609738
-m/z = 366.08	-0.0217470979279574	-0.000720344513545507
-m/z = 366.17	-0.0207845332248847	-0.000689185859224604
-m/z = 366.25	-0.00481008755211685	-0.00015956056126597
-m/z = 366.33	-0.000156206318168	-5.18612533797138e-06
-m/z = 366.42	-7.75558565260162e-07	9.46960884780813e-07
-m/z = 366.5	-2.35382010637236e-07	2.87402611537931e-07
-m/z = 366.58	-2.01563139265916e-08	2.46109600539658e-08
-m/z = 366.67	-1.91880448214007e-06	-6.36041535120173e-08
-m/z = 366.75	-7.49629177528289e-07	-2.4862118445383e-08
-m/z = 366.83	-9.27390593449475e-08	-3.07757086533044e-09
-m/z = 366.92	-5.37500622051916e-11	6.5629097653942e-11
-m/z = 367	-3.2688248272336e-11	3.9912516625082e-11
-m/z = 367.08	-5.59370347827672e-12	6.82993979850627e-12
-m/z = 367.17	-7.9567722086193e-11	-2.63316633705947e-12
-m/z = 367.25	-9.49884502897644e-11	-3.14980281412617e-12
-m/z = 367.33	-2.02234500618495e-11	-6.70880388638757e-13
-m/z = 367.42	-2.6291212486395e-13	-8.72851249916439e-15
-m/z = 367.5	0.00175014454172917	0.00189030474148778
-m/z = 367.58	0.0119383009101363	0.0128943788798986
-m/z = 367.67	0.00672075767316706	0.00725898906805141
-m/z = 367.75	0.00115505036211209	0.0012475524872979
-m/z = 367.83	0.00539064738504035	-0.004891854619862
-m/z = 367.92	0.019688855823268	-0.0178670600095411
-m/z = 368	0.00700286627232067	-0.00635489604116439
-m/z = 368.08	0.000718490356027161	-0.00065200895484453
-m/z = 368.17	7.48316486591302e-07	8.08245358600261e-07
-m/z = 368.25	2.08644268014936e-07	2.25353529213197e-07
-m/z = 368.33	1.47149751963193e-08	1.58934229268113e-08
-m/z = 368.42	1.21758955846993e-06	-1.1049268633702e-06
-m/z = 368.5	9.34657756759723e-07	-8.48174539867779e-07
-m/z = 368.58	1.76481682728376e-07	-1.6015195825613e-07
-m/z = 368.67	5.77578984335082e-11	6.23834356822836e-11
-m/z = 368.75	2.99820295065433e-11	3.23831391023165e-11
-m/z = 368.83	4.69259880924659e-12	5.0684056642344e-12
-m/z = 368.92	1.92211337691736e-18	6.86815951514754e-19
-m/z = 369	3.17402879413743e-19	1.38984934075904e-19
-m/z = 369.08	0.0146872113562822	-0.0133282141446423
-m/z = 369.17	0.0134302033688584	-0.012187516211488
-m/z = 369.25	0.00287239345083272	-0.00260661292954632
-m/z = 369.33	4.05588721316177e-05	-3.68059885635205e-05
-m/z = 369.42	4.82921469596195e-17	5.20041885654763e-17
-m/z = 369.5	-2.58003425125122e-18	-9.44091507594072e-19
-m/z = 369.58	-7.52063044586858e-20	-3.45638923975672e-20
-m/z = 369.67	1.31510664966362e-06	-1.19342076753555e-06
-m/z = 369.75	4.64505246769107e-07	-4.21524906941346e-07
-m/z = 369.83	5.09337724082809e-08	-4.62209067051635e-08
-m/z = 369.92	-2.73647832492286e-19	-1.10881806181209e-19
-m/z = 370	0.0111766770755256	0.0120717604552684
-m/z = 370.08	0.0227212264251529	0.0245408542092517
-m/z = 370.17	0.0076001842835042	0.00820884435557991
-m/z = 370.25	-0.0129931990351234	0.0166517468988719
-m/z = 370.33	-0.0692976860215424	0.0866244957684906
-m/z = 370.42	-0.0412062673414648	0.0555283219867808
-m/z = 370.5	-0.00647492096824257	0.00900190027612455
-m/z = 370.58	1.34971812428776e-06	1.45781020319555e-06
-m/z = 370.67	1.0170930291924e-06	1.09854685128274e-06
-m/z = 370.75	1.90764585842769e-07	2.06041941451124e-07
-m/z = 370.83	-2.20460241064874e-06	2.51577598407414e-06
-m/z = 370.92	-4.78167065636276e-06	6.35533984028485e-06
-m/z = 371	-1.22787634308414e-06	1.67797227857361e-06
-m/z = 371.08	-6.70284533690695e-08	1.00875998087147e-07
-m/z = 371.17	1.08143921435516e-10	1.16804618023708e-10
-m/z = 371.25	3.29189704156602e-11	3.55552831915593e-11
-m/z = 371.33	2.83557989687901e-12	3.06266629525918e-12
-m/z = 371.42	-4.02713008788607e-10	5.20561421604646e-10
-m/z = 371.5	-1.82693122085392e-10	2.46698794815489e-10
-m/z = 371.58	-2.59642106587307e-11	3.62643081257634e-11
-m/z = 371.67	7.46576041086535e-15	8.06233163802788e-15
-m/z = 371.75	4.56543210209299e-15	4.93159832909978e-15
-m/z = 371.83	7.82466608599068e-16	8.45947182750087e-16
-m/z = 371.92	-1.37775271268568e-14	1.57236788236391e-14
-m/z = 372	-2.20752962365193e-14	2.94262828361684e-14
-m/z = 372.08	-5.21237307046177e-15	7.14022156247758e-15
-m/z = 372.17	-2.15816959476481e-16	3.3325724484556e-16
-m/z = 372.25	3.0411043762705e-18	1.63354270952199e-18
-m/z = 372.33	-1.40174421358699e-18	-3.88155755328331e-19
-m/z = 372.42	7.78296612607898e-19	3.36982867716933e-19
-m/z = 372.5	-1.52704654715462e-18	2.78470414386145e-18
-m/z = 372.58	-1.88021176743093e-19	1.38939196642584e-18
-m/z = 372.67	2.24960563988419e-18	9.11588440625476e-19
-m/z = 372.75	3.95706786243534e-18	1.50221117742787e-18
-m/z = 372.83	-2.24828143517376e-18	-8.28849813753752e-19
-m/z = 372.92	1.74542394280541e-19	6.51106226409232e-20
-m/z = 373	1.25752089021454e-18	5.33634243611141e-19
-m/z = 373.08	8.52266856862204e-19	4.05908724214196e-19
-m/z = 373.17	2.5376715998366e-19	1.09799887968294e-19
-m/z = 373.25	-6.91672704295758e-19	-2.61487846525155e-19
-m/z = 373.33	-2.24659466776039e-18	-1.04595142972147e-18
-m/z = 373.42	-4.6681330293001e-20	-1.61642965500989e-20
-m/z = 373.5	5.62439715725796e-19	2.34177080109104e-19
-m/z = 373.58	3.68427416914341e-18	1.19385613284885e-18
-m/z = 373.67	-2.41928531916906e-18	-1.07879334993553e-18
-m/z = 373.75	-2.18472779792585e-18	-9.17502586519187e-19
-m/z = 373.83	-2.91838275284841e-18	-1.08672382612052e-18
-m/z = 373.92	-4.54804584305171e-19	-1.63846652150526e-19
-m/z = 374	1.05798110186871e-18	4.34599911891188e-19
-m/z = 374.08	-1.55140142316654e-18	-7.30355084501448e-19
-m/z = 374.17	-2.86004856715822e-18	-1.20978013350673e-18
-m/z = 374.25	-1.74844006071149e-18	-5.91847326000495e-19
-m/z = 374.33	-1.69750604236891e-18	-6.73020679160643e-19
-m/z = 374.42	0.0123062899717612	0.00307831863805756
-m/z = 374.5	0.0530623521431481	0.0132731170772218
-m/z = 374.58	0.0258201713628501	0.00645870647664631
-m/z = 374.67	0.00382370652153468	0.000956469177852302
-m/z = 374.75	2.84730961743414e-18	1.26591096682247e-18
-m/z = 374.83	1.21425498985199e-18	4.6262594942046e-19
-m/z = 374.92	-8.40601704876841e-19	-3.92747488626885e-19
-m/z = 375	7.20739269110964e-07	1.80287083302494e-07
-m/z = 375.08	3.07079114361726e-06	7.68133501865312e-07
-m/z = 375.17	7.49683815814538e-07	1.87527326933277e-07
-m/z = 375.25	3.30863650004557e-08	8.27628588970802e-09
-m/z = 375.33	-9.52494243914382e-19	-3.62948616848495e-19
-m/z = 375.42	-1.24576097940527e-18	-5.70768195209101e-19
-m/z = 375.5	8.23209844851664e-19	3.26847942678687e-19
-m/z = 375.58	2.71031427859772e-10	6.77963140792606e-11
-m/z = 375.67	1.14045876431313e-10	2.85276511595079e-11
-m/z = 375.75	1.51908946273612e-11	3.79987878343776e-12
-m/z = 375.83	-1.08707606201732e-18	-5.18058379362392e-19
-m/z = 375.92	0.00056322917702521	-0.00051111398221227
-m/z = 376	0.00734372298287524	-0.00666421352293171
-m/z = 376.08	0.0063488341617008	-0.00576138105615452
-m/z = 376.17	0.00139762443069343	-0.00126830323701022
-m/z = 376.25	2.9364402610514e-05	-2.66473353364756e-05
-m/z = 376.33	8.10441364533164e-17	2.02219924462788e-17
-m/z = 376.42	-4.71078661600039e-19	-1.64092336707409e-19
-m/z = 376.5	4.00756567692656e-19	1.71426174342422e-19
-m/z = 376.58	6.08989470392941e-07	-5.52640108201902e-07
-m/z = 376.67	2.22939693288206e-07	-2.02311242162792e-07
-m/z = 376.75	0.000764722113846859	-0.0243527075378078
-m/z = 376.83	0.00266433483802873	-0.0848489611801634
-m/z = 376.92	0.0012260250704021	-0.0390442492886599
-m/z = 377	0.000181973128669648	-0.0057951540887209
-m/z = 377.08	3.00320701534021e-11	-2.72532231637408e-11
-m/z = 377.17	2.8883779181449e-11	-2.62111823774651e-11
-m/z = 377.25	5.8472133302627e-12	-5.30617477114254e-12
-m/z = 377.33	3.28882706506534e-08	-1.04736662535821e-06
-m/z = 377.42	1.45680238084756e-07	-4.63936314964098e-06
-m/z = 377.5	3.56334430595938e-08	-1.13479003592209e-06
-m/z = 377.58	1.58711577819166e-09	-5.05436190106317e-08
-m/z = 377.67	2.93413999090403e-15	-2.66221800804118e-15
-m/z = 377.75	9.71147933479725e-16	-8.81253535101341e-16
-m/z = 377.83	9.80403164547883e-17	-8.74599596661407e-17
-m/z = 377.92	1.28358298942533e-11	-4.08772623072965e-10
-m/z = 378	5.41624691797899e-12	-1.7248698177331e-10
-m/z = 378.08	7.23319471745853e-13	-2.30349183269824e-11
-m/z = 378.17	1.40777861502113e-18	2.96815461847498e-19
-m/z = 378.25	-2.35087112610325e-18	-1.17049385755102e-18
-m/z = 378.33	2.58729760416435e-18	1.09514071358626e-18
-m/z = 378.42	4.01946673703524e-16	-1.2864223273628e-14
-m/z = 378.5	6.67105637176675e-16	-2.13159429729204e-14
-m/z = 378.58	1.50072513102902e-16	-4.79691200652292e-15
-m/z = 378.67	0.00260510114581369	-0.00236405299124453
-m/z = 378.75	0.00787417585949342	-0.00714558397248166
-m/z = 378.83	0.00318409081125325	-0.00288946915509721
-m/z = 378.92	0.000404125833518826	-0.000366732357822107
-m/z = 379	9.08523521576567e-19	-1.65190558678471e-18
-m/z = 379.08	9.02775627307682e-19	-4.3412828363661e-19
-m/z = 379.17	-1.4123381711125e-18	-7.30953555329185e-19
-m/z = 379.25	3.0516313415569e-07	-2.76926606586344e-07
-m/z = 379.33	4.00211052553607e-07	-3.63179808755972e-07
+m/z = 357.42	-0.00505286988151878	0.00777845828330326
+m/z = 357.5	-0.000172495330031373	0.000263034665781971
+m/z = 357.58	-3.8259191920917e-07	-1.27022340081849e-08
+m/z = 357.67	-1.44280559444054e-08	-4.79017968762659e-10
+m/z = 357.75	3.47172489103831e-18	-7.66772253483255e-18
+m/z = 357.83	-1.99394253963108e-06	3.0698770787659e-06
+m/z = 357.92	-7.85276581951879e-07	1.20901306407416e-06
+m/z = 358	-9.81289398690992e-08	1.50849522195232e-07
+m/z = 358.08	-5.8986553953767e-11	-1.95839146679546e-12
+m/z = 358.17	-7.5451634328558e-12	-2.50500829764857e-13
+m/z = 358.25	-1.2666124676807e-18	2.45989979430498e-18
+m/z = 358.33	-8.067898247361e-11	1.24213488390643e-10
+m/z = 358.42	-9.92385094575445e-11	1.52787765143099e-10
+m/z = 358.5	-2.12604934043343e-11	3.27240944950381e-11
+m/z = 358.58	-3.14826514746365e-13	4.73075980267417e-13
+m/z = 358.67	-1.61221335990927e-15	-5.35868135134349e-17
+m/z = 358.75	-2.79679257130955e-17	-5.45995245771499e-18
+m/z = 358.83	2.54270893590054e-18	-5.07286832698712e-18
+m/z = 358.92	-9.70506415540403e-15	1.49407657884731e-14
+m/z = 359	-3.43396806818041e-15	5.28651022771171e-15
+m/z = 359.08	-3.80783082915805e-16	5.8648158492968e-16
+m/z = 359.17	-3.6421079155035e-18	7.24392440620682e-18
+m/z = 359.25	-2.88542516652259e-18	6.08636165314552e-18
+m/z = 359.33	-2.5237968470618e-18	4.85040782061318e-18
+m/z = 359.42	-5.1574249134761e-20	-1.45446217333708e-19
+m/z = 359.5	1.85454926017685e-18	-4.12556785460159e-18
+m/z = 359.58	4.93191221403941e-19	-1.10294629196111e-18
+m/z = 359.67	4.7038671140821e-18	-9.05089569804039e-18
+m/z = 359.75	5.70031931762508e-19	-1.1218188829256e-18
+m/z = 359.83	-0.00518249518687779	0.00594918292502701
+m/z = 359.92	-0.0193797366887151	0.0224278240498086
+m/z = 360	-0.00799491349682935	0.00930339448908937
+m/z = 360.08	-0.00104048007247356	0.00121690071582699
+m/z = 360.17	1.50745911173312e-18	-2.93972989685412e-18
+m/z = 360.25	-3.34009350758773e-18	7.0549889096742e-18
+m/z = 360.33	1.46052835567361e-19	-2.85666566051247e-19
+m/z = 360.42	-7.37213600737332e-07	8.41269274929805e-07
+m/z = 360.5	-9.96659708995537e-07	1.15781914804669e-06
+m/z = 360.58	-2.20030069205924e-07	2.56558271984439e-07
+m/z = 360.67	-4.77018564256682e-09	5.78484858047182e-09
+m/z = 360.75	-9.3574627141772e-19	1.88045310606789e-18
+m/z = 360.83	0.00900872739610201	0.00973019068169181
+m/z = 360.92	0.0242952064861724	0.0262408863502541
+m/z = 361	0.0099486599257026	0.0107453978538907
+m/z = 361.08	0.00128173666876805	0.00138438453635669
+m/z = 361.17	-4.04183321803623e-12	4.73162209446569e-12
+m/z = 361.25	-8.41658609411701e-19	1.75750020433618e-18
+m/z = 361.33	8.3705605046766e-19	-1.72550341067656e-18
+m/z = 361.42	8.92392152189406e-07	9.6385931352052e-07
+m/z = 361.5	1.24436986020521e-06	1.34402514134245e-06
+m/z = 361.58	2.72700992572743e-07	2.94540242125812e-07
+m/z = 361.67	5.43921605700006e-09	5.87481735498771e-09
+m/z = 361.75	-8.76490495473721e-18	7.87994461317461e-18
+m/z = 361.83	2.53069908766218e-18	-5.46760760069386e-18
+m/z = 361.92	-2.37221510800736e-18	4.99939380228195e-18
+m/z = 362	1.19756670162125e-10	1.29347378757499e-10
+m/z = 362.08	4.35917246362449e-11	4.70827602661781e-11
+m/z = 362.17	4.96944540901286e-12	5.36741546232501e-12
+m/z = 362.25	-1.90032575193061e-18	4.08628670167268e-18
+m/z = 362.33	1.46894966015457e-18	-2.93485997439529e-18
+m/z = 362.42	-3.5211897746811e-18	7.40662669679294e-18
+m/z = 362.5	5.98236370348528e-15	6.47156048560858e-15
+m/z = 362.58	5.66174576148777e-15	6.10700863875458e-15
+m/z = 362.67	1.14204690653687e-15	1.22839189843624e-15
+m/z = 362.75	2.34105504631142e-18	-4.70755662395742e-18
+m/z = 362.83	-1.21754578102998e-18	2.65764166243399e-18
+m/z = 362.92	2.36144304508281e-18	-4.99999909169518e-18
+m/z = 363	4.04186144176126e-18	-8.0631907614541e-18
+m/z = 363.08	-3.33744877852485e-18	8.6456164889685e-18
+m/z = 363.17	-1.70787285725121e-18	4.01857824622245e-18
+m/z = 363.25	-1.47972994964881e-18	3.31425566812463e-18
+m/z = 363.33	1.25297233692788e-18	-2.42226514438534e-18
+m/z = 363.42	2.11794963148096e-20	-3.88370328725725e-20
+m/z = 363.5	-1.11063922675422e-18	2.15552307488203e-18
+m/z = 363.58	2.27560479393347e-18	-4.86208078662238e-18
+m/z = 363.67	2.16566310557951e-19	-4.5018861521089e-19
+m/z = 363.75	-3.34433394883158e-19	6.19043488117874e-19
+m/z = 363.83	-3.36339566365714e-18	6.26483889839849e-18
+m/z = 363.92	-1.18875857739403e-18	2.47663831098787e-18
+m/z = 364	-2.24233221635065e-18	4.78352096230638e-18
+m/z = 364.08	-2.80669401565339e-19	5.7143795139574e-19
+m/z = 364.17	2.33777056413057e-18	-4.39062961008809e-18
+m/z = 364.25	0.0219075072547787	0.0236619683976426
+m/z = 364.33	0.0425427135061709	0.0459497436575492
+m/z = 364.42	0.0115736123702206	0.0125004842844907
+m/z = 364.5	0.000571590774703614	0.000617366580785725
+m/z = 364.58	1.26489427218455e-19	-2.45328075966681e-19
+m/z = 364.67	1.79736406723255e-18	-3.50010867610458e-18
+m/z = 364.75	-1.95369066937696e-18	3.9994093695023e-18
+m/z = 364.83	3.98902057401701e-06	4.30848099978911e-06
+m/z = 364.92	1.74124818968478e-06	1.88069592571911e-06
+m/z = 365	2.39657661944233e-07	2.58850628571141e-07
+m/z = 365.08	1.43650722940229e-18	-3.06168051417736e-18
+m/z = 365.17	-2.0529785024702e-18	4.21062890494195e-18
+m/z = 365.25	1.66735556690736e-18	-3.29279115840949e-18
+m/z = 365.33	1.07012193497888e-10	1.15582259629711e-10
+m/z = 365.42	0.00279585055663687	0.000699359520369659
+m/z = 365.5	0.0715114667357541	0.0178880135193735
+m/z = 365.58	0.100018198915758	0.0250187413582424
+m/z = 365.67	0.0279608226610137	0.00699417303917984
+m/z = 365.75	0.000154791698729485	0.00273223728844257
+m/z = 365.83	-0.0121410218639653	0.014824248382276
+m/z = 365.92	-0.00728268048573954	0.00889218927529785
+m/z = 366	-0.00183787424517966	0.0016473646060974
+m/z = 366.08	-0.0217470979279575	-0.000720344513545641
+m/z = 366.17	-0.0207845332248847	-0.000689185859224732
+m/z = 366.25	-0.00481008755211687	-0.000159560561266003
+m/z = 366.33	-0.000156206318167995	-5.18612533797514e-06
+m/z = 366.42	-7.75558565260257e-07	9.46960884780734e-07
+m/z = 366.5	-2.35382010635387e-07	2.87402611532923e-07
+m/z = 366.58	-2.01563139210814e-08	2.4610960043824e-08
+m/z = 366.67	-1.91880448214132e-06	-6.3604153507175e-08
+m/z = 366.75	-7.4962917752243e-07	-2.48621184479554e-08
+m/z = 366.83	-9.27390593392062e-08	-3.07757087103639e-09
+m/z = 366.92	-5.37500659522798e-11	6.56291005845177e-11
+m/z = 367	-3.26882494279073e-11	3.99125159218663e-11
+m/z = 367.08	-5.59370227788206e-12	6.82993749524955e-12
+m/z = 367.17	-7.95677205610461e-11	-2.63316644690128e-12
+m/z = 367.25	-9.49884484967761e-11	-3.14980425568111e-12
+m/z = 367.33	-2.0223451831541e-11	-6.70876482073905e-13
+m/z = 367.42	-2.6291444619519e-13	-8.7263744631477e-15
+m/z = 367.5	0.00175014454172918	0.00189030474148779
+m/z = 367.58	0.0119383009101363	0.0128943788798987
+m/z = 367.67	0.00672075767316707	0.00725898906805149
+m/z = 367.75	0.0011550503621121	0.00124755248729791
+m/z = 367.83	0.00539064738504036	-0.00489185461986198
+m/z = 367.92	0.019688855823268	-0.0178670600095409
+m/z = 368	0.00700286627232067	-0.00635489604116434
+m/z = 368.08	0.000718490356027161	-0.000652008954844522
+m/z = 368.17	7.48316486595807e-07	8.08245358593376e-07
+m/z = 368.25	2.0864426801808e-07	2.25353529207074e-07
+m/z = 368.33	1.47149751949782e-08	1.58934229288144e-08
+m/z = 368.42	1.21758955846941e-06	-1.1049268633712e-06
+m/z = 368.5	9.34657756758334e-07	-8.48174539863393e-07
+m/z = 368.58	1.76481682728777e-07	-1.60151958254499e-07
+m/z = 368.67	5.77578984530396e-11	6.23834360507056e-11
+m/z = 368.75	2.9982030502773e-11	3.2383140339437e-11
+m/z = 368.83	4.69259920724516e-12	5.06840667761823e-12
+m/z = 368.92	2.44538291672634e-18	-4.82674797355233e-18
+m/z = 369	-4.29046351797947e-18	9.03872621686851e-18
+m/z = 369.08	0.0146872113562822	-0.0133282141446422
+m/z = 369.17	0.0134302033688584	-0.0121875162114879
+m/z = 369.25	0.00287239345083272	-0.0026066129295463
+m/z = 369.33	4.05588721316143e-05	-3.68059885635131e-05
+m/z = 369.42	4.61294023844361e-17	5.5782137357689e-17
+m/z = 369.5	1.07905671810334e-18	-2.3303058213266e-18
+m/z = 369.58	-3.88442813658074e-19	7.7100982738306e-19
+m/z = 369.67	1.31510664966202e-06	-1.1934207675309e-06
+m/z = 369.75	4.64505246761731e-07	-4.21524906933376e-07
+m/z = 369.83	5.09337724082222e-08	-4.62209067039506e-08
+m/z = 369.92	1.83448030109031e-18	-4.47583789857748e-18
+m/z = 370	0.0111766770755257	0.0120717604552685
+m/z = 370.08	0.0227212264251529	0.0245408542092519
+m/z = 370.17	0.00760018428350422	0.00820884435557999
+m/z = 370.25	-0.0129931990351235	0.0166517468988718
+m/z = 370.33	-0.0692976860215426	0.0866244957684903
+m/z = 370.42	-0.0412062673414649	0.0555283219867807
+m/z = 370.5	-0.00647492096824258	0.00900190027612454
+m/z = 370.58	1.34971812428411e-06	1.45781020319825e-06
+m/z = 370.67	1.01709302919023e-06	1.09854685128312e-06
+m/z = 370.75	1.90764585849122e-07	2.06041941444651e-07
+m/z = 370.83	-2.2046024106503e-06	2.51577598407511e-06
+m/z = 370.92	-4.78167065636419e-06	6.35533984028642e-06
+m/z = 371	-1.22787634308334e-06	1.677972278577e-06
+m/z = 371.08	-6.70284533682139e-08	1.00875998082613e-07
+m/z = 371.17	1.08143923262253e-10	1.1680460697779e-10
+m/z = 371.25	3.29189713933979e-11	3.55552821451839e-11
+m/z = 371.33	2.83558130690691e-12	3.06266222268823e-12
+m/z = 371.42	-4.02713004924041e-10	5.20561419536236e-10
+m/z = 371.5	-1.82693119794693e-10	2.46698791288021e-10
+m/z = 371.58	-2.59642090335595e-11	3.62643069497382e-11
+m/z = 371.67	7.46409818264703e-15	8.06005341050918e-15
+m/z = 371.75	4.56479803908281e-15	4.93513977662985e-15
+m/z = 371.83	7.81814577415801e-16	8.50483361710937e-16
+m/z = 371.92	-1.37770624093792e-14	1.57203052781668e-14
+m/z = 372	-2.20755798767375e-14	2.94249143241183e-14
+m/z = 372.08	-5.21313418297498e-15	7.14161000667491e-15
+m/z = 372.17	-2.19047332997271e-16	3.38499589768418e-16
+m/z = 372.25	6.13147978829546e-19	3.1371846428377e-19
+m/z = 372.33	3.44515265736293e-18	-7.12993684984548e-18
+m/z = 372.42	-4.3236940159798e-19	9.88278741437464e-19
+m/z = 372.5	-1.76636283956231e-18	2.12776658998811e-18
+m/z = 372.58	-4.27461668907222e-18	7.67862642966722e-18
+m/z = 372.67	-7.36663624295111e-19	1.38716291379613e-18
+m/z = 372.75	1.14257880924225e-18	-2.34527044918587e-18
+m/z = 372.83	8.06622521537011e-19	-1.75224011112217e-18
+m/z = 372.92	9.87787121503794e-19	-1.97397197477403e-18
+m/z = 373	-3.55122752353804e-19	7.00843895881126e-19
+m/z = 373.08	-3.35614251753127e-19	6.0980664656083e-19
+m/z = 373.17	-1.76690778114154e-18	3.59127152763101e-18
+m/z = 373.25	-5.91744401790956e-19	1.23350403375069e-18
+m/z = 373.33	6.84297010450532e-19	-1.4214846536637e-18
+m/z = 373.42	1.84558288083071e-18	-3.46196293196396e-18
+m/z = 373.5	-1.17290334743368e-18	2.35949795572178e-18
+m/z = 373.58	1.17727752455709e-19	-2.55923096390749e-19
+m/z = 373.67	-3.45784020562986e-19	7.12123718454811e-19
+m/z = 373.75	-2.09216675913892e-18	4.49522060148598e-18
+m/z = 373.83	-3.49199894568032e-18	7.69142911759801e-18
+m/z = 373.92	1.79859005876028e-18	-3.54829773705008e-18
+m/z = 374	-3.17337791761527e-18	6.37979839197957e-18
+m/z = 374.08	1.70024543128521e-18	-3.38230543897511e-18
+m/z = 374.17	-4.60154222274639e-19	1.0315521264965e-18
+m/z = 374.25	-3.98045776340227e-19	8.22162754011522e-19
+m/z = 374.33	5.22172216332186e-19	-1.0357090709661e-18
+m/z = 374.42	0.0123062899717611	0.00307831863805758
+m/z = 374.5	0.0530623521431481	0.0132731170772219
+m/z = 374.58	0.02582017136285	0.00645870647664635
+m/z = 374.67	0.00382370652153467	0.000956469177852309
+m/z = 374.75	1.79762965037032e-18	-3.53468544609475e-18
+m/z = 374.83	-2.3020378156967e-18	4.72300277433078e-18
+m/z = 374.92	3.94393827573298e-18	-7.72622591763113e-18
+m/z = 375	7.20739269112389e-07	1.80287083300603e-07
+m/z = 375.08	3.07079114362027e-06	7.68133501859148e-07
+m/z = 375.17	7.49683815815272e-07	1.8752732693447e-07
+m/z = 375.25	3.30863649990747e-08	8.27628589042413e-09
+m/z = 375.33	2.18453275779101e-18	-4.37946536015561e-18
+m/z = 375.42	-1.2863949443943e-18	2.66142756470007e-18
+m/z = 375.5	1.95868534101192e-18	-3.67592177939966e-18
+m/z = 375.58	2.71031425497474e-10	6.77963158978864e-11
+m/z = 375.67	1.1404587577614e-10	2.85276521114298e-11
+m/z = 375.75	1.51908954391016e-11	3.79988231246055e-12
+m/z = 375.83	1.78728302323692e-18	-3.7971363093753e-18
+m/z = 375.92	0.000563229177025213	-0.000511113982212264
+m/z = 376	0.00734372298287524	-0.00666421352293167
+m/z = 376.08	0.00634883416170081	-0.00576138105615447
+m/z = 376.17	0.00139762443069343	-0.00126830323701021
+m/z = 376.25	2.93644026105098e-05	-2.66473353364689e-05
+m/z = 376.33	8.25094061025467e-17	1.79271164933086e-17
+m/z = 376.42	3.99272620897962e-19	-8.39385972683977e-19
+m/z = 376.5	-1.2757524127838e-18	2.4951965216208e-18
+m/z = 376.58	6.08989470387114e-07	-5.52640108203986e-07
+m/z = 376.67	2.22939693280985e-07	-2.02311242156673e-07
+m/z = 376.75	0.00076472211384694	-0.0243527075378078
+m/z = 376.83	0.00266433483802901	-0.0848489611801635
+m/z = 376.92	0.00122602507040224	-0.03904424928866
+m/z = 377	0.000181973128669668	-0.00579515408872092
+m/z = 377.08	3.00320687377196e-11	-2.72532219132198e-11
+m/z = 377.17	2.88837798259145e-11	-2.62111861531615e-11
+m/z = 377.25	5.84721516266133e-12	-5.30617847672188e-12
+m/z = 377.33	3.28882706524286e-08	-1.04736662535836e-06
+m/z = 377.42	1.45680238081749e-07	-4.63936314963802e-06
+m/z = 377.5	3.56334430551553e-08	-1.13479003592219e-06
+m/z = 377.58	1.58711577570764e-09	-5.05436190077082e-08
+m/z = 377.67	2.93206988784313e-15	-2.65901496309319e-15
+m/z = 377.75	9.71450863334397e-16	-8.81938611933297e-16
+m/z = 377.83	1.01437697037806e-16	-9.79370148928923e-17
+m/z = 377.92	1.28358319540466e-11	-4.08772618458493e-10
+m/z = 378	5.41624451979516e-12	-1.72486972541733e-10
+m/z = 378.08	7.23317383020947e-13	-2.30349189154351e-11
+m/z = 378.17	2.78577668268228e-18	-5.78091321784143e-18
+m/z = 378.25	7.99392727107576e-19	-1.50559858220268e-18
+m/z = 378.33	1.82012466556999e-18	-3.59054164413801e-18
+m/z = 378.42	4.04007017413954e-16	-1.2863697508581e-14
+m/z = 378.5	6.67986336764223e-16	-2.13123547074527e-14
+m/z = 378.58	1.48979008167846e-16	-4.79353554957763e-15
+m/z = 378.67	0.00260510114581369	-0.00236405299124451
+m/z = 378.75	0.00787417585949343	-0.00714558397248161
+m/z = 378.83	0.00318409081125324	-0.00288946915509719
+m/z = 378.92	0.000404125833518826	-0.000366732357822099
+m/z = 379	-4.59563469268199e-18	6.28576615430577e-18
+m/z = 379.08	9.8041321993319e-19	-2.6103510230313e-18
+m/z = 379.17	-9.59406845492784e-19	1.87033001803268e-18
+m/z = 379.25	3.051631341553e-07	-2.76926606580942e-07
+m/z = 379.33	4.00211052555888e-07	-3.63179808755163e-07
 m/z = 379.42	-0.00101735364263497	0.00116097058911071
-m/z = 379.5	-0.0218608923820534	0.0249464976298425
-m/z = 379.58	-0.0212472607163645	0.0242462531880334
-m/z = 379.67	-0.00492442986374957	0.00561949960877661
-m/z = 379.75	-0.00016159810831324	0.000184407237298704
-m/z = 379.83	3.8815622315378e-11	-3.52240377376594e-11
-m/z = 379.92	1.39406711994649e-11	-1.26507531290851e-11
-m/z = 380	1.5624511313687e-12	-1.41787668538227e-12
-m/z = 380.08	-1.95916225217665e-06	2.23569262112533e-06
-m/z = 380.17	-7.66946644016164e-07	8.75199055575941e-07
-m/z = 380.25	-9.50886607802295e-08	1.08510163984976e-07
-m/z = 380.33	2.00296660371986e-15	-1.81384400854682e-15
-m/z = 380.42	1.81800076679399e-15	-1.65015429909269e-15
-m/z = 380.5	3.65233791861918e-16	-3.27727895570936e-16
-m/z = 380.58	-4.98271876077903e-19	-1.78728140280302e-19
-m/z = 380.67	-0.00670627052349287	0.00765284218190154
-m/z = 380.75	-0.0101121782727797	0.0115394844520126
-m/z = 380.83	-0.00287525154898916	0.00328108540515921
-m/z = 380.92	-0.000213148224635127	0.000243233510901607
-m/z = 381	1.38872088584272e-18	6.04295337625432e-19
-m/z = 381.08	1.64525127983729e-18	5.97514733772563e-19
-m/z = 381.17	2.08939747049158e-18	8.75966203198325e-19
-m/z = 381.25	-7.6266263408317e-07	8.70310369407337e-07
-m/z = 381.33	-4.0986365156667e-07	4.67714779855809e-07
-m/z = 381.42	-6.55432799297847e-08	7.47945338020775e-08
-m/z = 381.5	1.63762592187961e-19	7.37938891230423e-20
-m/z = 381.58	1.59718138975478e-18	6.47361996193788e-19
-m/z = 381.67	-2.5353100103178e-18	-9.45523543026922e-19
-m/z = 381.75	8.63104869703855e-20	3.46591477179041e-20
-m/z = 381.83	-4.719744787715e-11	5.38592385844257e-11
-m/z = 381.92	-1.23096921163327e-11	1.40471755157046e-11
-m/z = 382	-7.10303842724465e-13	8.10561733450002e-13
-m/z = 382.08	-1.9312960673345e-19	-9.18016116641669e-20
-m/z = 382.17	-1.2667583027637e-19	-4.37275102950451e-20
-m/z = 382.25	-6.08875647755806e-19	-2.49220113825624e-19
-m/z = 382.33	-3.91435444393102e-15	4.46660260277907e-15
-m/z = 382.42	-1.82196777306282e-15	2.07500263872137e-15
-m/z = 382.5	-2.61957082044451e-16	3.01459453675502e-16
-m/z = 382.58	-0.0054756158757771	0.00668575435395375
-m/z = 382.67	-0.00531810222434547	0.00649342939823053
-m/z = 382.75	-0.000887087764303097	0.00108313859428403
-m/z = 382.83	1.54718586039946e-19	1.8227785945938e-19
-m/z = 382.92	-2.58946369846155e-18	-9.97021714163548e-19
-m/z = 383	1.87463211272898e-18	7.74227855618337e-19
-m/z = 383.08	-0.00590220856749378	0.007206626162845
-m/z = 383.17	-0.00954036413741965	0.0116488322988883
-m/z = 383.25	-0.00259444819898704	0.00316783421920066
-m/z = 383.33	-0.000170791928120107	0.000208537797930739
-m/z = 383.42	-6.74981151935675e-19	-3.20196982827067e-19
-m/z = 383.5	-1.53292676319969e-18	-5.9985961632574e-19
-m/z = 383.58	-4.16162923424656e-19	-1.71677173979027e-19
-m/z = 383.67	-7.5732507372522e-07	9.24697700478234e-07
-m/z = 383.75	-3.76704521557786e-07	4.59958103760444e-07
-m/z = 383.83	-5.73201962748969e-08	6.99882461632518e-08
-m/z = 383.92	-2.40331302837508e-18	-9.04978023529084e-19
-m/z = 384	-1.46701739561373e-19	-5.9487573236997e-20
-m/z = 384.08	2.45807867600662e-18	9.92054391995384e-19
-m/z = 384.17	-5.58567153158886e-12	6.82013108964379e-12
-m/z = 384.25	-4.43139190524833e-11	5.41075216822316e-11
-m/z = 384.33	-1.10678908779404e-11	1.35139516029289e-11
-m/z = 384.42	-5.41368612293196e-13	6.61014290831997e-13
-m/z = 384.5	-2.30781707129495e-18	-8.20628926087921e-19
-m/z = 384.58	1.18251737010034e-18	5.03731473020274e-19
-m/z = 384.67	-1.20443413223732e-18	-4.36543621944697e-19
-m/z = 384.75	-3.83257015355237e-15	4.67800674121583e-15
-m/z = 384.83	-1.66809484410921e-15	2.03464770169806e-15
-m/z = 384.92	-2.30578130949982e-16	2.78587071228493e-16
-m/z = 385	3.8087100945787e-18	1.26190660809532e-18
-m/z = 385.08	-3.0991409407077e-18	-1.29165247690271e-18
-m/z = 385.17	-2.18566362939217e-18	-9.57392846493738e-19
-m/z = 385.25	1.02300504146688e-18	7.15645532001222e-19
-m/z = 385.33	-4.61961724155352e-19	1.0123502190974e-19
-m/z = 385.42	2.556140220891e-18	1.36191606095337e-18
-m/z = 385.5	-1.07757818956427e-18	-5.80369394477897e-19
-m/z = 385.58	-9.80546455346773e-19	-4.32435976712594e-19
-m/z = 385.67	-7.91424509240459e-19	-3.36860974898855e-19
-m/z = 385.75	9.15327489911728e-19	3.90534760293466e-19
-m/z = 385.83	-1.09422071733668e-18	-5.37196069596304e-19
-m/z = 385.92	-1.60892751941331e-18	-7.01020481978241e-19
-m/z = 386	2.13685762533012e-18	1.05318541579173e-18
-m/z = 386.08	2.67982703862751e-18	1.31857504580131e-18
-m/z = 386.17	-4.6270229572281e-20	-1.84925667023543e-20
-m/z = 386.25	-3.8500158115267e-19	-1.68467186318967e-19
-m/z = 386.33	-2.62391072726913e-18	-1.05509753505832e-18
-m/z = 386.42	-4.16686482622183e-19	-1.75969421447707e-19
-m/z = 386.5	2.13292226662552e-18	9.42878306669683e-19
-m/z = 386.58	5.93555704583799e-05	-0.00441376823064151
-m/z = 386.67	-0.00632408750279972	-0.0535115057453083
-m/z = 386.75	-0.0141056330556982	-0.0407107818399711
-m/z = 386.83	-0.00406011861940151	-0.00938762379241896
-m/z = 386.92	8.54060043272656e-05	-0.0128886183967909
-m/z = 387	0.00330092261016001	-0.105121867721181
-m/z = 387.08	0.00239100052284499	-0.0761442997512754
-m/z = 387.17	0.00473929636508346	-0.150928617365442
-m/z = 387.25	0.00390828201280198	-0.124501110254496
-m/z = 387.33	0.00100919017042887	-0.0321586849470848
-m/z = 387.42	-0.00861182660086412	0.00809798707905667
-m/z = 387.5	-0.0214436117709635	0.0244703186544998
-m/z = 387.58	-0.00766453407495957	0.00798398507472324
-m/z = 387.67	-0.0136962922244849	0.000987522090785439
-m/z = 387.75	-0.0121027914791598	0.000244994103399746
-m/z = 387.83	-0.00235330255381354	4.48935266480418e-05
-m/z = 387.92	2.14362921676001e-08	-6.83258100215174e-07
-m/z = 388	-1.51264601453113e-06	1.72615228677551e-06
-m/z = 388.08	-9.61725356188284e-07	1.09747024779813e-06
-m/z = 388.17	-1.68136484246592e-07	1.91868487027606e-07
-m/z = 388.25	-1.26023992643221e-06	2.63870472089209e-08
-m/z = 388.33	-3.98746242908023e-07	7.84021374783729e-09
-m/z = 388.42	-3.69216455983716e-08	6.42674451684482e-10
-m/z = 388.5	1.63484691310272e-13	-5.21899293034075e-12
-m/z = 388.58	-1.06166327646529e-10	1.21151414146771e-10
-m/z = 388.67	-3.00942405564346e-11	3.43419571220481e-11
-m/z = 388.75	-8.43528992075995e-11	4.26000796108448e-12
-m/z = 388.83	-5.44895624015994e-11	1.09797782446731e-12
-m/z = 388.92	-9.71064205478102e-12	1.83904352277514e-13
-m/z = 389	8.66963218017562e-17	-2.69900200875946e-15
-m/z = 389.08	-8.03545431354427e-15	9.17154151803844e-15
-m/z = 389.17	-4.29745976142549e-15	4.90078153953498e-15
-m/z = 389.25	-6.83240393085452e-16	7.81751604633981e-16
-m/z = 389.33	-5.95585333685578e-15	1.24017314633328e-16
-m/z = 389.42	-1.71894242722768e-15	3.43251820544794e-17
-m/z = 389.5	-1.33112315281641e-16	1.95205234770092e-18
-m/z = 389.58	-1.82036882305309e-18	-8.11053087498159e-19
-m/z = 389.67	4.5773016874329e-19	9.92752460134855e-19
-m/z = 389.75	5.34990823143143e-19	4.14016017121366e-19
-m/z = 389.83	-1.95914808449415e-19	1.07499754856319e-19
-m/z = 389.92	1.45516138492412e-18	6.79668626346155e-19
-m/z = 390	2.20472125928455e-18	7.8114535463141e-19
-m/z = 390.08	-0.00128767480290403	2.71745489722787e-05
-m/z = 390.17	-0.0186924984880098	0.000394478648204555
-m/z = 390.25	-0.0130428620963781	0.000275251091329391
-m/z = 390.33	-0.00259893776349149	5.48468925311163e-05
-m/z = 390.42	1.40606714063133e-19	6.8869728728312e-20
-m/z = 390.5	3.85896300747956e-19	1.45242305801655e-19
-m/z = 390.58	7.92886547260767e-19	3.62686933334173e-19
-m/z = 390.67	5.37506943196591e-19	2.23061529223503e-19
-m/z = 390.75	-1.33805865234365e-06	2.82378285991142e-08
-m/z = 390.83	-4.35021057364389e-07	9.18050194138125e-09
-m/z = 390.92	-4.21879771122087e-08	8.90317374786175e-10
-m/z = 391	-0.00177787132035486	3.75194506815193e-05
-m/z = 391.08	-0.0205151999361682	0.000432944175100888
-m/z = 391.17	-0.014995252502239	0.000316453519595765
-m/z = 391.25	-0.00225591977536141	4.76079847759966e-05
-m/z = 391.33	1.29680515471064e-18	5.92195009237438e-19
-m/z = 391.42	7.54045530833105e-19	3.28498538374081e-19
-m/z = 391.5	-1.74654958739371e-18	-7.13376465721064e-19
-m/z = 391.58	-3.05267171540561e-07	6.44223035758015e-09
-m/z = 391.67	-1.77212615536878e-06	3.7398207129498e-08
-m/z = 391.75	-4.38370832788512e-07	9.25119419718448e-09
-m/z = 391.83	-2.05640560568857e-08	4.3397521486233e-10
-m/z = 391.92	7.00175400470918e-19	3.31890652181487e-19
-m/z = 392	-0.0366693809680357	0.00077385523631566
-m/z = 392.08	-0.0301296427150324	0.000635843343078849
-m/z = 392.17	-0.00569151230718601	0.000120111288633701
-m/z = 392.25	9.95690354931204e-19	3.38247724212651e-19
-m/z = 392.33	1.91116430774522e-18	9.18705543813354e-19
-m/z = 392.42	2.37878030305992e-19	9.65952901232833e-20
-m/z = 392.5	-4.09461358461511e-19	-1.79741214387449e-19
-m/z = 392.58	-3.19066511849632e-06	6.73344584530268e-08
-m/z = 392.67	-9.78580475734398e-07	2.06515519300772e-08
-m/z = 392.75	-0.019518861642084	0.02227379952189
-m/z = 392.83	-0.0417813461278736	0.0476786683364339
-m/z = 392.92	-0.0121123507022801	0.0138219757243129
-m/z = 393	-0.000787116252328782	0.000898215548683924
-m/z = 393.08	-2.17857666302895e-10	4.59757710706668e-12
-m/z = 393.17	-1.3534372058876e-10	2.85623716407074e-12
-m/z = 393.25	-2.34036389923064e-11	4.93900689563504e-13
-m/z = 393.33	-3.56838704125125e-06	4.07205506770905e-06
-m/z = 393.42	-1.76198360856061e-06	2.01068275372887e-06
+m/z = 379.5	-0.0218608923820534	0.0249464976298424
+m/z = 379.58	-0.0212472607163646	0.0242462531880333
+m/z = 379.67	-0.00492442986374959	0.00561949960877659
+m/z = 379.75	-0.000161598108313242	0.000184407237298707
+m/z = 379.83	3.88156195314443e-11	-3.5224036903282e-11
+m/z = 379.92	1.39406738326156e-11	-1.26507539969888e-11
+m/z = 380	1.56245426255599e-12	-1.41788645397193e-12
+m/z = 380.08	-1.95916225217495e-06	2.23569262112229e-06
+m/z = 380.17	-7.66946644016398e-07	8.75199055575717e-07
+m/z = 380.25	-9.50886607747992e-08	1.0851016397538e-07
+m/z = 380.33	1.99598134441662e-15	-1.8072203732868e-15
+m/z = 380.42	1.82087578348725e-15	-1.65554255896197e-15
+m/z = 380.5	3.64509671809699e-16	-3.33462860755598e-16
+m/z = 380.58	-2.82213127060399e-18	5.5402398487403e-18
+m/z = 380.67	-0.0067062705234929	0.0076528421819015
+m/z = 380.75	-0.0101121782727797	0.0115394844520125
+m/z = 380.83	-0.00287525154898916	0.0032810854051592
+m/z = 380.92	-0.000213148224635129	0.000243233510901607
+m/z = 381	-1.66320871016383e-18	2.88571758779382e-18
+m/z = 381.08	1.79395708477286e-18	-3.85278995156605e-18
+m/z = 381.17	1.38752698958792e-18	-2.56046024477062e-18
+m/z = 381.25	-7.62662634075244e-07	8.70310369395838e-07
+m/z = 381.33	-4.09863651566028e-07	4.6771477985173e-07
+m/z = 381.42	-6.55432799274085e-08	7.47945338047463e-08
+m/z = 381.5	-1.01390151071013e-18	1.94802957451162e-18
+m/z = 381.58	-4.1470814910903e-18	7.78911832075991e-18
+m/z = 381.67	-1.14437928335996e-19	2.484125936968e-19
+m/z = 381.75	-8.35261976498389e-19	1.96565963679848e-18
+m/z = 381.83	-4.71974483940136e-11	5.38592386802912e-11
+m/z = 381.92	-1.23096937877779e-11	1.40471722174113e-11
+m/z = 382	-7.10305529367906e-13	8.10564625502719e-13
+m/z = 382.08	-8.45272955711206e-19	1.67970696965287e-18
+m/z = 382.17	-2.26593947281912e-19	5.19867040063998e-19
+m/z = 382.25	1.54465285499921e-18	-3.05762908693465e-18
+m/z = 382.33	-3.91411545486291e-15	4.46651592039293e-15
+m/z = 382.42	-1.82084935160286e-15	2.07903909681257e-15
+m/z = 382.5	-2.64838834925526e-16	3.03406575944357e-16
+m/z = 382.58	-0.00547561587577714	0.0066857543539538
+m/z = 382.67	-0.00531810222434551	0.00649342939823058
+m/z = 382.75	-0.000887087764303104	0.00108313859428404
+m/z = 382.83	-1.94046475577823e-18	4.37239772220681e-18
+m/z = 382.92	-4.34034210017288e-19	7.1829928088707e-19
+m/z = 383	5.1440629415913e-19	-1.19240871864207e-18
+m/z = 383.08	-0.00590220856749382	0.00720662616284506
+m/z = 383.17	-0.00954036413741972	0.0116488322988884
+m/z = 383.25	-0.00259444819898706	0.00316783421920067
+m/z = 383.33	-0.000170791928120106	0.000208537797930739
+m/z = 383.42	-2.28059647350106e-18	4.59338357234372e-18
+m/z = 383.5	-2.26490594295548e-18	4.36646435567296e-18
+m/z = 383.58	1.73787138288371e-18	-3.7941430529312e-18
+m/z = 383.67	-7.57325073727446e-07	9.24697700478268e-07
+m/z = 383.75	-3.76704521556219e-07	4.59958103761554e-07
+m/z = 383.83	-5.73201962711999e-08	6.99882461565219e-08
+m/z = 383.92	-1.56385980787693e-18	3.0576080972266e-18
+m/z = 384	3.48365601494681e-18	-7.24307799364503e-18
+m/z = 384.08	2.13617502308638e-18	-4.56187109293274e-18
+m/z = 384.17	-5.58567228234072e-12	6.82013531039525e-12
+m/z = 384.25	-4.43139209595311e-11	5.41075181317464e-11
+m/z = 384.33	-1.10678913873113e-11	1.35139503885993e-11
+m/z = 384.42	-5.41365875368845e-13	6.61008154857867e-13
+m/z = 384.5	2.64598266802233e-18	-5.26528811505497e-18
+m/z = 384.58	-6.74088616183476e-19	1.29482830923322e-18
+m/z = 384.67	3.31256194150342e-19	-7.04262814298567e-19
+m/z = 384.75	-3.83047056810387e-15	4.67610155656782e-15
+m/z = 384.83	-1.66420361566888e-15	2.02997528564846e-15
+m/z = 384.92	-2.2690984910881e-16	2.75267707993928e-16
+m/z = 385	-3.68128762248511e-18	8.08819622457642e-18
+m/z = 385.08	6.06075793810752e-19	-1.30876785351839e-18
+m/z = 385.17	-1.39543183771421e-18	3.08162435573389e-18
+m/z = 385.25	-1.53193711796797e-18	3.09562531817954e-18
+m/z = 385.33	-1.68711337037426e-18	3.27296033040415e-18
+m/z = 385.42	-6.01556004626754e-19	1.2299118985431e-18
+m/z = 385.5	2.29914992138312e-18	-4.53046221789349e-18
+m/z = 385.58	1.86545354921478e-18	-3.78565897158097e-18
+m/z = 385.67	-1.37309714691936e-18	2.84129085446694e-18
+m/z = 385.75	2.55381197446768e-18	-5.44267182753814e-18
+m/z = 385.83	-9.41791174856112e-19	2.07093915265875e-18
+m/z = 385.92	1.01691695562792e-18	-2.00872855314986e-18
+m/z = 386	7.27230204557963e-19	-1.60305498572094e-18
+m/z = 386.08	1.43358447718071e-18	-2.85011501044651e-18
+m/z = 386.17	4.10460225758045e-19	-9.25344617386533e-19
+m/z = 386.25	-1.63062853445251e-18	3.11384169642434e-18
+m/z = 386.33	-8.68125348478412e-19	1.91807679584441e-18
+m/z = 386.42	4.25836193410717e-19	-8.82624409362137e-19
+m/z = 386.5	-1.69079350338186e-18	3.56212375079617e-18
+m/z = 386.58	5.93555704583929e-05	-0.0044137682306415
+m/z = 386.67	-0.00632408750279951	-0.0535115057453083
+m/z = 386.75	-0.014105633055698	-0.0407107818399712
+m/z = 386.83	-0.00406011861940147	-0.00938762379241897
+m/z = 386.92	8.54060043273095e-05	-0.0128886183967909
+m/z = 387	0.00330092261016036	-0.105121867721181
+m/z = 387.08	0.00239100052284525	-0.0761442997512755
+m/z = 387.17	0.00473929636508397	-0.150928617365443
+m/z = 387.25	0.0039082820128024	-0.124501110254496
+m/z = 387.33	0.00100919017042898	-0.0321586849470848
+m/z = 387.42	-0.00861182660086414	0.00809798707905663
+m/z = 387.5	-0.0214436117709636	0.0244703186544997
+m/z = 387.58	-0.0076645340749596	0.00798398507472321
+m/z = 387.67	-0.0136962922244849	0.000987522090785407
+m/z = 387.75	-0.0121027914791598	0.000244994103399715
+m/z = 387.83	-0.00235330255381355	4.48935266480473e-05
+m/z = 387.92	2.14362921668096e-08	-6.83258100211957e-07
+m/z = 388	-1.51264601452843e-06	1.7261522867753e-06
+m/z = 388.08	-9.61725356188431e-07	1.09747024780367e-06
+m/z = 388.17	-1.68136484243626e-07	1.91868487025943e-07
+m/z = 388.25	-1.26023992643564e-06	2.63870472165116e-08
+m/z = 388.33	-3.98746242906655e-07	7.84021374671939e-09
+m/z = 388.42	-3.69216455915522e-08	6.42674444055602e-10
+m/z = 388.5	1.63481030952286e-13	-5.21898800369364e-12
+m/z = 388.58	-1.06166330521364e-10	1.21151418350274e-10
+m/z = 388.67	-3.00942372371905e-11	3.43419547716058e-11
+m/z = 388.75	-8.43528941339633e-11	4.26000349990741e-12
+m/z = 388.83	-5.44895550084399e-11	1.0979720545396e-12
+m/z = 388.92	-9.71064049485535e-12	1.83903717824418e-13
+m/z = 389	8.78650572565616e-17	-2.7068040874858e-15
+m/z = 389.08	-8.03511455811547e-15	9.16784195217041e-15
+m/z = 389.17	-4.29559182697872e-15	4.90215579959687e-15
+m/z = 389.25	-6.86218797183736e-16	7.84610856481141e-16
+m/z = 389.33	-5.95478935122529e-15	1.20740326459013e-16
+m/z = 389.42	-1.7203955895226e-15	3.32283267933927e-17
+m/z = 389.5	-1.32989068353453e-16	3.24187066953316e-18
+m/z = 389.58	-3.50654302974629e-18	7.26873362072882e-18
+m/z = 389.67	1.19418024870848e-18	-3.37356182970769e-18
+m/z = 389.75	2.98203688938846e-18	-6.22490303201473e-18
+m/z = 389.83	3.02152857270797e-18	-6.52550646367594e-18
+m/z = 389.92	-1.34358486777773e-18	2.19781795697521e-18
+m/z = 390	7.52069123265004e-20	-2.41112608468746e-19
+m/z = 390.08	-0.00128767480290404	2.71745489722797e-05
+m/z = 390.17	-0.0186924984880098	0.000394478648204537
+m/z = 390.25	-0.0130428620963781	0.000275251091329377
+m/z = 390.33	-0.00259893776349149	5.48468925311124e-05
+m/z = 390.42	-4.53842780886484e-20	8.38121594805947e-20
+m/z = 390.5	1.21156504548137e-18	-2.47727524005953e-18
+m/z = 390.58	-2.34241370339224e-18	4.53609945376804e-18
+m/z = 390.67	7.822927195723e-19	-1.59987292530202e-18
+m/z = 390.75	-1.33805865234483e-06	2.82378286017441e-08
+m/z = 390.83	-4.35021057365685e-07	9.18050194158031e-09
+m/z = 390.92	-4.21879771157718e-08	8.90317382384268e-10
+m/z = 391	-0.00177787132035486	3.75194506815188e-05
+m/z = 391.08	-0.0205151999361682	0.000432944175100855
+m/z = 391.17	-0.014995252502239	0.000316453519595749
+m/z = 391.25	-0.00225591977536141	4.76079847759942e-05
+m/z = 391.33	3.904618128993e-18	-8.4421457747121e-18
+m/z = 391.42	-3.28464112877977e-18	7.19695667743576e-18
+m/z = 391.5	-1.98308107508757e-18	4.30678544582637e-18
+m/z = 391.58	-3.05267171544501e-07	6.44223035222023e-09
+m/z = 391.67	-1.77212615537008e-06	3.73982071306861e-08
+m/z = 391.75	-4.38370832790379e-07	9.25119419763e-09
+m/z = 391.83	-2.05640560559928e-08	4.3397520951759e-10
+m/z = 391.92	-2.56362661460729e-18	5.67127559752636e-18
+m/z = 392	-0.0366693809680357	0.000773855236315611
+m/z = 392.08	-0.0301296427150324	0.000635843343078808
+m/z = 392.17	-0.00569151230718601	0.000120111288633694
+m/z = 392.25	1.83670440881171e-18	-3.63278100173257e-18
+m/z = 392.33	1.95132420904203e-18	-4.30198996962267e-18
+m/z = 392.42	9.22715393113378e-20	-1.87497565822323e-19
+m/z = 392.5	-1.07908615086974e-18	2.36126191837805e-18
+m/z = 392.58	-3.19066511849721e-06	6.73344584530094e-08
+m/z = 392.67	-9.78580475735892e-07	2.06515519326383e-08
+m/z = 392.75	-0.019518861642084	0.0222737995218899
+m/z = 392.83	-0.0417813461278738	0.0476786683364337
+m/z = 392.92	-0.0121123507022801	0.0138219757243128
+m/z = 393	-0.000787116252328789	0.000898215548683922
+m/z = 393.08	-2.17857665528675e-10	4.59757393660785e-12
+m/z = 393.17	-1.35343719858349e-10	2.85623546721038e-12
+m/z = 393.25	-2.34036390405774e-11	4.93900212123262e-13
+m/z = 393.33	-3.56838704124608e-06	4.07205506770384e-06
+m/z = 393.42	-1.76198360856187e-06	2.01068275372772e-06
 m/z = 393.5	-0.00233992195400915	0.00360244123900651
-m/z = 393.58	-0.0224309026287285	0.034534653064135
+m/z = 393.58	-0.0224309026287285	0.0345346530641351
 m/z = 393.67	-0.0144781756530043	0.0222906220696274
-m/z = 393.75	-0.0026549293256643	0.00408753337701365
-m/z = 393.83	-3.04582373553923e-11	3.47569945151367e-11
-m/z = 393.92	-2.07692013297736e-10	2.37007166209493e-10
-m/z = 394	0.000989421728722446	-0.0315093316645264
-m/z = 394.08	0.00166917857982564	-0.0531570081597263
-m/z = 394.17	0.000515223006486964	-0.0164551396233415
-m/z = 394.25	4.55292483933688e-05	-0.00146398008581852
-m/z = 394.33	-3.80471565288451e-08	5.85774621980805e-08
-m/z = 394.42	-1.80261861748868e-14	2.05731795141322e-14
-m/z = 394.5	-7.79450152852147e-15	8.8932774878865e-15
-m/z = 394.58	1.12421356220559e-07	-3.58019391594788e-06
-m/z = 394.67	7.11020518809847e-08	-2.26769779930766e-06
-m/z = 394.75	0.000316047453349279	-0.0100649148736834
-m/z = 394.83	0.00229889763821622	-0.0732111724683769
-m/z = 394.92	0.0015037297179587	-0.0478880892309077
-m/z = 395	0.000292705972843076	-0.00932157526617027
-m/z = 395.08	-0.00875103820451384	0.0099862232029457
-m/z = 395.17	-0.0126456283855077	0.0144305240873076
-m/z = 395.25	-0.00378465244012698	0.00431884573343675
-m/z = 395.33	-0.000315001652628071	0.000359463270406601
-m/z = 395.42	1.56478579105967e-07	-4.98324936692399e-06
-m/z = 395.5	4.95699913352547e-08	-1.5786162500546e-06
-m/z = 395.58	4.59965931361478e-09	-1.46481706774719e-07
-m/z = 395.67	-8.93363646462483e-07	1.01945947057684e-06
-m/z = 395.75	-5.28499859976468e-07	6.0309616312125e-07
-m/z = 395.83	0.0101721470821756	0.00254460417531898
-m/z = 395.92	0.0901124169298956	0.0225408899978155
-m/z = 396	0.0619057408174026	0.0154852188209357
-m/z = 396.08	0.0120686207083509	0.00301886756043134
-m/z = 396.17	8.29766732622241e-19	3.24788876472644e-19
-m/z = 396.25	-5.93693484374707e-11	6.77491684978647e-11
-m/z = 396.33	-1.62663173113897e-11	1.85622610212837e-11
-m/z = 396.42	-1.09391624517617e-12	1.24831961834282e-12
-m/z = 396.5	6.43609376126174e-06	1.60993663686438e-06
-m/z = 396.58	2.04220500508523e-06	5.10841013808091e-07
-m/z = 396.67	1.90042568568914e-07	4.75376068393718e-08
-m/z = 396.75	-4.6729071683446e-15	5.33399726868458e-15
-m/z = 396.83	-2.35674085631684e-15	2.68596568058615e-15
-m/z = 396.92	-3.64018986595146e-16	4.10907358792307e-16
-m/z = 397	0.00683320944088088	0.00170927192743567
-m/z = 397.08	0.0508156173515184	0.0127111145890863
-m/z = 397.17	0.0315399671799999	0.0078894670153805
-m/z = 397.25	0.0057109852596642	0.00142855664922874
-m/z = 397.33	-1.30717333684192e-18	-1.33618317326166e-19
-m/z = 397.42	7.63325418593883e-19	4.41246777037217e-19
-m/z = 397.5	-5.9689259726913e-18	-2.89422798705846e-18
-m/z = 397.58	1.51841909986983e-18	6.97436343119172e-19
-m/z = 397.67	3.41887735034648e-06	8.55204443658871e-07
-m/z = 397.75	1.00353056889697e-06	2.51025033636382e-07
-m/z = 397.83	8.01158365250197e-08	2.00403268040419e-08
-m/z = 397.92	4.41352911468247e-18	1.6449289863631e-18
-m/z = 398	5.43757198498465e-19	2.08419109619348e-19
-m/z = 398.08	-0.00206607196679601	0.00235769234822123
-m/z = 398.17	-0.0225874349565932	0.0257755896848459
-m/z = 398.25	-0.0160218359330536	0.0182832742502865
-m/z = 398.33	-0.0026940895995632	0.003074352976825
-m/z = 398.42	-1.64172280397241e-18	-6.21106803721976e-19
-m/z = 398.5	1.87258701511885e-19	9.69939303920679e-20
-m/z = 398.58	-1.49232334394936e-18	-7.43540482406037e-19
+m/z = 393.75	-0.0026549293256643	0.00408753337701366
+m/z = 393.83	-3.04582339785289e-11	3.47569898364536e-11
+m/z = 393.92	-2.07692010278724e-10	2.37007166468918e-10
+m/z = 394	0.000989421728722559	-0.0315093316645265
+m/z = 394.08	0.00166917857982581	-0.0531570081597263
+m/z = 394.17	0.000515223006487019	-0.0164551396233416
+m/z = 394.25	4.55292483933701e-05	-0.00146398008581852
+m/z = 394.33	-3.80471565270782e-08	5.85774621944284e-08
+m/z = 394.42	-1.80262500024233e-14	2.05689490369655e-14
+m/z = 394.5	-7.7909656610118e-15	8.88828831877814e-15
+m/z = 394.58	1.12421356224445e-07	-3.58019391594558e-06
+m/z = 394.67	7.11020518802956e-08	-2.26769779930263e-06
+m/z = 394.75	0.000316047453349314	-0.0100649148736834
+m/z = 394.83	0.00229889763821647	-0.073211172468377
+m/z = 394.92	0.00150372971795886	-0.0478880892309078
+m/z = 395	0.000292705972843111	-0.00932157526617029
+m/z = 395.08	-0.00875103820451387	0.00998622320294566
+m/z = 395.17	-0.0126456283855077	0.0144305240873075
+m/z = 395.25	-0.00378465244012699	0.00431884573343672
+m/z = 395.33	-0.000315001652628076	0.000359463270406603
+m/z = 395.42	1.56478579106423e-07	-4.9832493669199e-06
+m/z = 395.5	4.95699913407887e-08	-1.57861625005459e-06
+m/z = 395.58	4.59965931477345e-09	-1.46481706778349e-07
+m/z = 395.67	-8.93363646461732e-07	1.01945947057533e-06
+m/z = 395.75	-5.28499859979223e-07	6.03096163123705e-07
+m/z = 395.83	0.0101721470821755	0.00254460417531899
+m/z = 395.92	0.0901124169298955	0.0225408899978156
+m/z = 396	0.0619057408174025	0.0154852188209358
+m/z = 396.08	0.0120686207083509	0.00301886756043136
+m/z = 396.17	2.13427762585755e-18	-4.57591641293874e-18
+m/z = 396.25	-5.93693477596822e-11	6.77491676579856e-11
+m/z = 396.33	-1.62663136152525e-11	1.85622572248383e-11
+m/z = 396.42	-1.09391652965735e-12	1.24832003417318e-12
+m/z = 396.5	6.43609376126285e-06	1.60993663686421e-06
+m/z = 396.58	2.04220500508587e-06	5.10841013808235e-07
+m/z = 396.67	1.90042568568878e-07	4.75376068364845e-08
+m/z = 396.75	-4.67251518868319e-15	5.33097853187915e-15
+m/z = 396.83	-2.35613979840554e-15	2.69012387669633e-15
+m/z = 396.92	-3.61561868840093e-16	4.1275441396577e-16
+m/z = 397	0.00683320944088087	0.00170927192743568
+m/z = 397.08	0.0508156173515183	0.0127111145890864
+m/z = 397.17	0.0315399671799999	0.00788946701538054
+m/z = 397.25	0.00571098525966419	0.00142855664922875
+m/z = 397.33	4.89969485396192e-19	-1.19060334525639e-18
+m/z = 397.42	2.22834919338454e-18	-4.34732897976762e-18
+m/z = 397.5	8.31147483196322e-19	-1.78218120586324e-18
+m/z = 397.58	7.14897520004991e-19	-1.54051878724343e-18
+m/z = 397.67	3.41887735034728e-06	8.55204443656831e-07
+m/z = 397.75	1.0035305688935e-06	2.51025033637385e-07
+m/z = 397.83	8.01158365214818e-08	2.00403268096558e-08
+m/z = 397.92	-1.9142113485302e-18	3.69209812345875e-18
+m/z = 398	-2.33556706483865e-18	4.5182654397614e-18
+m/z = 398.08	-0.00206607196679601	0.00235769234822122
+m/z = 398.17	-0.0225874349565933	0.0257755896848458
+m/z = 398.25	-0.0160218359330536	0.0182832742502864
+m/z = 398.33	-0.0026940895995632	0.00307435297682499
+m/z = 398.42	-3.76104775049341e-18	8.41246115765971e-18
+m/z = 398.5	2.39548120740311e-20	-5.08280982949083e-20
+m/z = 398.58	5.66389784439603e-19	-1.12520168973942e-18
 m/z = 398.67	0.00295354336564466	0.0016465989339032
-m/z = 398.75	0.100753555082997	0.0424027103707125
-m/z = 398.83	0.0858729519853828	0.0359862357359943
-m/z = 398.92	0.0173733382364935	0.00713147150476629
-m/z = 399	-3.57451534230662e-19	-1.59668261771468e-19
-m/z = 399.08	-3.87913201826644e-19	-1.67215796549804e-19
-m/z = 399.17	1.67250347151359e-18	7.67055306287817e-19
-m/z = 399.25	-3.17057147286199e-18	-1.35524391550376e-18
-m/z = 399.33	8.72598113342265e-06	3.70432674671029e-06
-m/z = 399.42	2.88619885891342e-06	1.19693828706757e-06
-m/z = 399.5	2.87745593748573e-07	1.14900342935486e-07
-m/z = 399.58	-5.56110704789695e-20	-1.93184342212207e-20
-m/z = 399.67	-9.71257164705583e-20	-3.69674252065695e-20
-m/z = 399.75	1.34977946718752e-18	6.39160896239172e-19
-m/z = 399.83	5.28798132613708e-10	2.33513649004285e-10
-m/z = 399.92	3.87854516291594e-10	1.62263519345642e-10
+m/z = 398.75	0.100753555082997	0.0424027103707126
+m/z = 398.83	0.0858729519853825	0.0359862357359944
+m/z = 398.92	0.0173733382364934	0.00713147150476632
+m/z = 399	4.58678491672166e-19	-1.05711764259232e-18
+m/z = 399.08	-3.74124159573477e-18	8.10123796770424e-18
+m/z = 399.17	1.44107919235719e-18	-2.94492407411307e-18
+m/z = 399.25	-2.28306806332197e-18	4.56015944945022e-18
+m/z = 399.33	8.7259811334237e-06	3.70432674670869e-06
+m/z = 399.42	2.88619885891337e-06	1.19693828706317e-06
+m/z = 399.5	2.87745593745991e-07	1.14900342939911e-07
+m/z = 399.58	3.43909756603207e-18	-7.1235425369153e-18
+m/z = 399.67	5.41775952563231e-19	-1.17632377804067e-18
+m/z = 399.75	-2.94880449307325e-20	5.68563417987762e-20
+m/z = 399.83	5.28798133253926e-10	2.33513647021011e-10
+m/z = 399.92	3.87854520523766e-10	1.62263513454245e-10
Binary file test-data/pca_imzml.pdf has changed
--- a/test-data/scores_pca.tabular	Fri Jul 06 14:14:27 2018 -0400
+++ b/test-data/scores_pca.tabular	Wed Aug 22 13:44:28 2018 -0400
@@ -1,10 +1,10 @@
-	PC1	PC2
-x = 1, y = 1	1.00970093989579	0.757987492163088
-x = 2, y = 1	0.579669229309751	-0.365615195586665
-x = 3, y = 1	-1.04790449059336	0.831141108678227
-x = 1, y = 2	3.5004093695087	0.608578545994509
-x = 2, y = 2	-0.32505082476202	0.275854508943195
-x = 3, y = 2	-1.31374997886227	0.0192699346592603
-x = 1, y = 3	-1.46193831394871	-0.0337353199555226
-x = 2, y = 3	-1.08833133183904	1.1646109051122
-x = 3, y = 3	0.147195401291164	-3.25809198000829
+pixel names	PC1	PC2
+x = 1, y = 1	1.00970093989579	0.757987492163095
+x = 2, y = 1	0.579669229309751	-0.365615195586663
+x = 3, y = 1	-1.04790449059337	0.831141108678224
+x = 1, y = 2	3.5004093695087	0.608578545994517
+x = 2, y = 2	-0.325050824762022	0.275854508943195
+x = 3, y = 2	-1.31374997886227	0.0192699346592569
+x = 1, y = 3	-1.46193831394872	-0.0337353199555284
+x = 2, y = 3	-1.08833133183905	1.16461090511219
+x = 3, y = 3	0.147195401291175	-3.25809198000829
--- a/test-data/toplabels_skm.tabular	Fri Jul 06 14:14:27 2018 -0400
+++ b/test-data/toplabels_skm.tabular	Wed Aug 22 13:44:28 2018 -0400
@@ -1,21 +1,21 @@
-	mz	r	k	cluster	centers	withinss	betweenss
-1	1199.55615234375	3	3	1	37	0	3661.33333333333
-2	1199.55615234375	3	3	2	12.3333333333333	154	3661.33333333333
-3	1199.55615234375	3	3	3	81	18.6666666666667	3661.33333333333
-4	1199.59753417969	3	3	1	34.6	0	3658.13333333333
-5	1199.59753417969	3	3	2	14.3333333333333	137.2	3658.13333333333
-6	1199.59753417969	3	3	3	84	144.666666666667	3658.13333333333
-7	1199.55615234375	1	3	1	39.3333333333333	18.6666666666667	2198
-8	1199.55615234375	1	3	2	12.3333333333333	112.666666666667	2198
-9	1199.55615234375	1	3	3	49.3333333333333	1504.66666666667	2198
-10	1199.55615234375	2	3	1	39.3333333333333	18.6666666666667	2198
-11	1199.55615234375	2	3	2	12.3333333333333	112.666666666667	2198
-12	1199.55615234375	2	3	3	49.3333333333333	1504.66666666667	2198
-13	1199.63891601562	3	3	1	30.4	0	2049.02222222222
-14	1199.63891601562	3	3	2	11	45.2	2049.02222222222
-15	1199.63891601562	3	3	3	62	26	2049.02222222222
-16	1199.55615234375	2	2	1	44.3333333333333	18.6666666666667	2048
-17	1199.55615234375	2	2	2	12.3333333333333	1767.33333333333	2048
-18	1199.55615234375	3	2	1	44.3333333333333	18.6666666666667	2048
-19	1199.55615234375	3	2	2	12.3333333333333	1767.33333333333	2048
-20	1199.59753417969	1	3	1	37.6666666666667	144.666666666667	1784.66666666667
+mz	r	k	cluster	centers	withinss	betweenss
+1199.55615234375	3	3	1	81	154	3661.33333333333
+1199.55615234375	3	3	2	12.3333333333333	18.6666666666667	3661.33333333333
+1199.55615234375	3	3	3	37	0	3661.33333333333
+1199.59753417969	3	3	1	84	137.2	3658.13333333333
+1199.59753417969	3	3	2	14.3333333333333	144.666666666667	3658.13333333333
+1199.59753417969	3	3	3	34.6	0	3658.13333333333
+1199.55615234375	1	3	1	49.3333333333333	1504.66666666667	2198
+1199.55615234375	1	3	2	12.3333333333333	112.666666666667	2198
+1199.55615234375	1	3	3	39.3333333333333	18.6666666666667	2198
+1199.55615234375	2	3	1	49.3333333333333	1504.66666666667	2198
+1199.55615234375	2	3	2	12.3333333333333	112.666666666667	2198
+1199.55615234375	2	3	3	39.3333333333333	18.6666666666667	2198
+1199.63891601562	3	3	1	62	45.2	2049.02222222222
+1199.63891601562	3	3	2	11	26	2049.02222222222
+1199.63891601562	3	3	3	30.4	0	2049.02222222222
+1199.55615234375	2	2	1	44.3333333333333	1767.33333333333	2048
+1199.55615234375	2	2	2	12.3333333333333	18.6666666666667	2048
+1199.55615234375	3	2	1	44.3333333333333	1767.33333333333	2048
+1199.55615234375	3	2	2	12.3333333333333	18.6666666666667	2048
+1199.59753417969	1	3	1	48	1946	1784.66666666667
--- a/test-data/toplabels_ssc.tabular	Fri Jul 06 14:14:27 2018 -0400
+++ b/test-data/toplabels_ssc.tabular	Wed Aug 22 13:44:28 2018 -0400
@@ -1,51 +1,51 @@
-	mz	r	k	s	classes	centers	tstatistics	p.values	adj.p.values
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-2	364.333343505859	2	3	2	1	15.8337765722821	0.449479909587349	NA	NA
-3	203.833343505859	1	3	2	1	14.0415253451331	0.449478654505296	NA	NA
-4	203.833343505859	2	3	2	1	14.0415253451331	0.449478654505296	NA	NA
-5	259.916656494141	1	3	2	1	13.8981327063543	0.449478540011514	NA	NA
-6	259.916656494141	2	3	2	1	13.8981327063543	0.449478540011514	NA	NA
-7	200.25	1	3	2	1	10.4880169699887	0.449474897701911	NA	NA
-8	200.25	2	3	2	1	10.4880169699887	0.449474897701911	NA	NA
-9	200.333343505859	1	3	2	1	10.2892503590812	0.449474610932727	NA	NA
-10	200.333343505859	2	3	2	1	10.2892503590812	0.449474610932727	NA	NA
-11	259.833343505859	1	3	2	1	9.55638913925806	0.449473448172064	NA	NA
-12	259.833343505859	2	3	2	1	9.55638913925806	0.449473448172064	NA	NA
-13	360.916687011719	1	3	2	1	9.04224883162212	0.449472524177856	NA	NA
-14	360.916687011719	2	3	2	1	9.04224883162212	0.449472524177856	NA	NA
-15	370.083343505859	1	3	2	1	8.45643021892373	0.44947133139287	NA	NA
-16	370.083343505859	2	3	2	1	8.45643021892373	0.44947133139287	NA	NA
-17	364.25	1	3	2	1	8.15357261143537	0.449470647536679	NA	NA
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-33	370	1	3	2	1	4.15967192336677	0.449452314295502	NA	NA
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-45	370.166687011719	1	3	2	1	2.82853938684749	0.449434701602457	NA	NA
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-47	367.666687011719	1	3	2	1	2.5012261861986	0.449427499520948	NA	NA
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-49	225.083343505859	1	3	2	1	2.45608703725853	0.449426355692286	NA	NA
-50	225.083343505859	2	3	2	1	2.45608703725853	0.449426355692286	NA	NA
+mz	r	k	s	classes	centers	tstatistics	p.values	adj.p.values
+364.333343505859	1	3	2	1	15.8337765722821	0.449479909587349	NA	NA
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+203.833343505859	1	3	2	1	14.0415253451331	0.449478654505296	NA	NA
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+259.916656494141	1	3	2	1	13.8981327063543	0.449478540011514	NA	NA
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+360.916687011719	1	3	2	1	9.04224883162212	0.449472524177856	NA	NA
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+370.083343505859	1	3	2	1	8.45643021892373	0.44947133139287	NA	NA
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+225	1	3	2	1	5.71436916011582	0.449462496977867	NA	NA
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+225.083343505859	2	3	2	1	2.45608703725853	0.449426355692286	NA	NA