Software:MzXML2Search

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Revision as of 18:39, 24 May 2010
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;-c<n1>[-<n2>]: "suggest charge(s)": for scans which do not have a precursor charge (or charge range) already determined in the input file, use the user-specified charge (or charge range) for those scans. Input scans which already have defined charge (or charge range) are output with their original, unchanged values. ;-c<n1>[-<n2>]: "suggest charge(s)": for scans which do not have a precursor charge (or charge range) already determined in the input file, use the user-specified charge (or charge range) for those scans. Input scans which already have defined charge (or charge range) are output with their original, unchanged values.
;-B<num>: where num is a float specifying minimum MH+ mass, default=600.0 Da ;-B<num>: where num is a float specifying minimum MH+ mass, default=600.0 Da
-;-T<num> where num is a float specifying maximum MH+ scan, default=4200.0 Da+;-T<num>: where num is a float specifying maximum MH+ scan, default=4200.0 Da
;-P<num>: where num is an int specifying minimum peak count, default=5 ;-P<num>: where num is an int specifying minimum peak count, default=5
;-I<num>: where num is a float specifying minimum threshold for peak intensity, default=0.01 ;-I<num>: where num is a float specifying minimum threshold for peak intensity, default=0.01

Revision as of 18:40, 24 May 2010

Description

Converts mzXML files to SEQUEST dta, MASCOT mgf, and Micromass pkl files.

Getting the Software

Comes with the current version of TPP.

Running

MzXML2Search [options] *.mzXML

Options:

-dta or -mgf or -pkl or -xdta or -odta or -ms2
output format (default dta)
-F<num>
where num is an int specifying the first scan
-L<num>
where num is an int specifying the last scan
-C<n1>[-<n2>]
"force charge(s)": where n1 is an integer specifying the precursor charge state (or possible charge range from n1 to n2 inclusive) to use; this option forces input scans to be output with the user-specified charge (or charge range)
-c<n1>[-<n2>]
"suggest charge(s)": for scans which do not have a precursor charge (or charge range) already determined in the input file, use the user-specified charge (or charge range) for those scans. Input scans which already have defined charge (or charge range) are output with their original, unchanged values.
-B<num>
where num is a float specifying minimum MH+ mass, default=600.0 Da
-T<num>
where num is a float specifying maximum MH+ scan, default=4200.0 Da
-P<num>
where num is an int specifying minimum peak count, default=5
-I<num>
where num is a float specifying minimum threshold for peak intensity, default=0.01
-M<n1>[-<n2>]
where n1 is an int specifying MS level to export (default=2) and n2 specifies an optional range of MS levels to export
-A<str>
where str is the activation method, "CID" (default) or "ETD" if activation method not in scans of mzXML file, this option is ignored
-h
use hydrogen mass for charge ion (default is proton mass)

For example:

MzXML2Search .mgf example.mzXML
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