Util which can be used to evaluate pairs of MRM experiments
- Experimental classes:
- This software is experimental and might contain bugs!
The command line parameters of this tool are:
MRMPairFinder -- Util which can be used to evaluate labeled pair ratios on MRM features.
Version: 2.3.0 Jan 9 2018, 17:46:23, Revision: 38ae115
Usage:
MRMPairFinder <options>
Options (mandatory options marked with '*'):
-in <file>* Input featureXML file containing the features of the MRM experiment spectra. (valid
formats: 'featureXML')
-pair_in <file>* Pair-file in the format: prec-m/z-light prec-m/z-heavy frag-m/z-light frag-m/z-heavy
rt (valid formats: 'csv')
-out <file>* Output consensusXML file were the pairs of the features will be written to. (valid
formats: 'consensusXML')
-feature_out <file> Output featureXML file, only written if given, skipped otherwise. (valid formats: 'fea
tureXML')
Common UTIL options:
-ini <file> Use the given TOPP INI file
-threads <n> Sets the number of threads allowed to be used by the TOPP tool (default: '1')
-write_ini <file> Writes the default configuration file
--help Shows options
--helphelp Shows all options (including advanced)
INI file documentation of this tool:
Legend:
required parameter
advanced parameter
+MRMPairFinderUtil which can be used to evaluate labeled pair ratios on MRM features.
version2.3.0
Version of the tool that generated this parameters file.
++1Instance '1' section for 'MRMPairFinder'
in
Input featureXML file containing the features of the MRM experiment spectra.input file*.featureXML
pair_in
Pair-file in the format: prec-m/z-light prec-m/z-heavy frag-m/z-light frag-m/z-heavy rtinput file*.csv
out
Output consensusXML file were the pairs of the features will be written to.output file*.consensusXML
feature_out
Output featureXML file, only written if given, skipped otherwise.output file*.featureXML
mass_tolerance0.01
Precursor mass tolerance which is used for the pair finding and the matching of the given pair m/z values to the features.0:∞
RT_tolerance200
Maximal deviation in RT dimension in seconds a feature can have when comparing to the RT values given in the pair file.0:∞
RT_pair_tolerance5
Maximal deviation in RT dimension in seconds the two partners of a pair is allowed to have.0:∞
log
Name of log file (created only when specified)
debug0
Sets the debug level
threads1
Sets the number of threads allowed to be used by the TOPP tool
no_progressfalse
Disables progress logging to command linetrue,false
forcefalse
Overwrite tool specific checks.true,false
testfalse
Enables the test mode (needed for internal use only)true,false