creates with given data a .MSP format spectral library.
Information file should have the following information: peptide, retention time, measured weight, charge state. Extra information is allowed.
The command line parameters of this tool are:
SpecLibCreator -- Creates an MSP formatted spectral library.
Version: 1.11.1 Nov 14 2013, 11:18:15, Revision: 11976
Usage:
SpecLibCreator <options>
Options (mandatory options marked with '*'):
-info <file>* Holds id, peptide, retention time etc. (valid formats: 'csv')
-itemseperator <char> Seperator between items. e.g. , (default: ',')
-itemenclosed <bool> 'true' or 'false' if true every item is enclosed e.g. '$peptide$,$run$... (default:
'false' valid: 'true', 'false')
-spec <file>* Spectra (valid formats: 'mzData', 'mzXML')
-out <file>* Output MSP formated spectra library (valid formats: 'msp')
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:
| OpenMS / TOPP release 1.11.1 | Documentation generated on Thu Nov 14 2013 11:19:24 using doxygen 1.8.5 |