Mercurial > repos > galaxyp > hardklor
diff hardklor.conf @ 0:d796e6613d19 draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tools/hardklor commit f37e6d0357de4d9b1cd743ca291a7d4df2cc7a5f-dirty
author | galaxyp |
---|---|
date | Mon, 23 May 2016 11:12:40 -0400 |
parents | |
children |
line wrap: on
line diff
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/hardklor.conf Mon May 23 11:12:40 2016 -0400 @@ -0,0 +1,65 @@ +# Hardklor parameter file +# Version 2.3.0 +# Please see online documentation for detailed explanations: +# https://code.google.com/p/hardklor/wiki/Documentation + +# All parameters are separated from their values by an equals sign ('=') +# Anything after a '#' will be ignored for the remainder of the line. +# All data files (including paths if necessary) to be analyzed are discussed below. + +# Parameters used to described the data being input to Hardklor +instrument = {instrument} #Values are: FTICR, Orbitrap, TOF, QIT +resolution = {resolution} #Resolution at 400 m/z (def. 60000) +centroided = {centroided} #0=no, 1=yes + +# Parameters used in preprocessing spectra prior to analysis +ms_level = {mslvl} #1=MS1, 2=MS2, 3=MS3, 0=all +scan_range_min = 0 #ignore any spectra lower than this number, 0=off +scan_range_max = 0 #ignore any spectra higher than this number, 0=off +signal_to_noise = 0 #set signal-to-noise ratio, 0=off +sn_window = 250.0 #size in m/z for computing localized noise level in a spectrum. +static_sn = 0 #0=off, 1=on. Apply lowest localized noise level to entire spectrum. +boxcar_averaging = 0 #0=off, or specify number of scans to average together, use odd numbers only +boxcar_filter = 0 #0=off, when using boxcar_averaging, only keep peaks seen in this number of scans + # currently being averaged together. When on, signal_to_noise is not used. +boxcar_filter_ppm = 5 #Tolerance in ppm for matching peaks across spectra in boxcar_filter +mz_min = 0 #Sets lower bound of spectrum m/z range to analyze, 0=off +mz_max = 0 #Sets upper bound of spectrum m/z range to analyze, 0=off +smooth = 0 #Peforms Savitzky-Golay smoothing of peaks data. 0=off + # Not recommended for high resolution data. + +# Parameters used to customize the Hardklor analysis. Some of these parameters will drastically +# affect the analysis speed and results. Please consult the documentation and choose carefully! +algorithm = {algorithm} #Algorithms include: Basic, Version1, Version2 +charge_algorithm = {charge_algo} #Preferred method for feature charge identification. + # Values are: Quick, FFT, Patterson, Senko, None + # If None is set, all charge states are assumed, slowing Hardklor +charge_min = {mincharge} #Lowest charge state allowed in the analysis. +charge_max = {maxcharge} #Highest charge state allowed in the analysis. +correlation = {correlation} #Correlation threshold to accept a peptide feature. +averagine_mod = 0 #Formula containing modifications to the averagine model. + # Read documentation carefully before using! 0=off +mz_window = 5.25 #Breaks spectrum into windows not larger than this value for Version1 algorithm. +sensitivity = {sensitivity} #Values are 0 (lowest) to 3 (highest). Increasing sensitivity + # identifies more features near the noise where the isotope distribution + # may not be fully visible. However, these features are also more + # likely to be false. +depth = {depth} #Depth of combinatorial analysis. This is the maximum number of overlapping + # features allowed in any mz_window. Each increase requires exponential + # computation. In other words, keep this as low as necessary!!! +max_features = {maxfeat} #Maximum number of potential features in an mz_window to combinatorially solve. + # Setting this too high results in wasted computation time trying to mix-and-match + # highly improbable features. + +# Parameters used to customize the Hardklor output +distribution_area = 1 #Report sum of distribution peaks instead of highest peak only. 0=off, 1=on +xml = 0 #Output results as XML. 0=off, 1=on + + +# Below this point is where files to be analyzed should go. They should be listed contain +# both the input file name, and the output file name. Each file to be analyzed should begin +# on a new line. By convention Hardklor output should have this extension: .hk +# Example: +#YourData.mzXML YourData.hk +#Data.mzXML Data.hk +{inputfile} {outputfile}