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OpenMS
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Calculates false discovery rate estimates on crosslink identifications.
This tool calculates and FDR estimate for crosslink identifications, which are produced by OpenPepXL. The method employed currently is identical to the target-decoy approach used by xProphet (Walzthoeni et al., 2012). Consequently, this tool can also consume xquest.xml files (produced either by OpenPepXL or xQuest). The tool supports output in the idXML and mzIdentML formats.
| pot. predecessor tools | → XFDR → | pot. successor tools |
|---|---|---|
| OpenPepXL | OpenPepXLLF | - |
The command line parameters of this tool are:
XFDR -- Calculates false discovery rate estimates on crosslink identifications
Full documentation: http://www.openms.de/doxygen/release/3.0.0/html/TOPP_XFDR.html
Version: 3.0.0 Jul 14 2023, 11:57:33, Revision: be787e9
To cite OpenMS:
+ Rost HL, Sachsenberg T, Aiche S, Bielow C et al.. OpenMS: a flexible open-source software platform for
mass spectrometry data analysis. Nat Meth. 2016; 13, 9: 741-748. doi:10.1038/nmeth.3959.
Usage:
XFDR <options>
Options (mandatory options marked with '*'):
-in <file> Crosslink Identifications in either xquest.xml, idXML, or mzIdentML format
(as produced by OpenPepXL) (valid formats: 'xml', 'idXML', 'mzid', 'xques
t.xml')
-in_type <in_type> Type of input file provided with -in. If omitted, the file type is guessed
from the file extension. (valid: 'xml', 'idXML', 'mzid', 'xquest.xml')
-out_idXML <idXML_file> Output as idXML file (valid formats: 'idXML')
-out_mzIdentML <mzIdentML_file> Output as mzIdentML file (valid formats: 'mzid')
-out_xquest <xQuestXML_file> Output as xquest.xml file (valid formats: 'xquest.xml')
-decoy_string <text> Prefix of decoy protein ids. The correspondig target protein id should be
retrievable by deleting this prefix. (default: 'DECOY_')
-minborder <value> Filter for minimum precursor mass error (ppm) before FDR estimation. Value
s outside of the tolerance window of the original search will effectively
disable this filter. (default: '-50.0')
-maxborder <value> Filter for maximum precursor mass error (ppm) before FDR estimation. Value
s outside of the tolerance window of the original search will effectively
disable this filter. (default: '50.0')
-mindeltas <value> Filter for delta score, 0 disables the filter. Minimum delta score require
d, hits are rejected if larger or equal. The delta score is a ratio of
the score of a hit and the score of the next best hit to the same spectrum
, so the value range is between 0 and 1 with 1.0 meaning the scores are
equal and 0.5 meaning the next best score is half as high as the current
one. (default: '0.0') (min: '0.0' max: '1.0')
-minionsmatched <number> Filter for minimum matched ions per peptide. (default: '0') (min: '0')
-uniquexl Calculate statistics based only on unique IDs. For a set of IDs from equal
candidates (same pair of peptides, modifications and cross-linked positio
ns), only the highest scoring hit will be considered. By default the score
distribution will be estimated using all 1st ranked candidates.
-no_qvalues Do not transform simple FDR to q-values
-minscore <value> Minimum score to be considered for FDR calculation. A number lower than
the lowest score will effectively disable this filter. (default: '-10.0')
-binsize <value> Bin size for the cumulative histograms for score distributions. Should be
about the same size as the smallest expected difference between scores.
Smaller numbers will make XFDR more robust, but much slower. Negative numb
ers are not allowed. Should only be changed if the range of the main score
changes or another score than the OpenPepXL score is used. (default: '1.0
e-04') (min: '1.0e-15')
Common TOPP 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:
1.9.1