From: Chambers, M. <mat...@gm...> - 2017-11-09 21:38:38
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Hi John, I assume you copied that red text from an earlier version of msconvert. It was updated in March to use a key/value system, and indeed the m/z list is the only required parameter. The new format is: mzPresent <mz_list> [mzTol=<tolerance> (0.5 mz)] [type=<type> (count)] [threshold=<threshold> (10000)] [orientation=<orientation> (most-intense)] [mode=<include|exclude (include)>] This filter includes or excludes spectra depending on whether the specified peaks are present. <mz_list> is a list of mz values of the form [mz1,mz2, ... mzn] (for example, "[100, 300, 405.6]"). Spectra which contain peaks within <tolerance> of any of these values will be kept. <tolerance> is specified as a number and units (PPM or MZ). For example, "5 PPM" or "2.1 MZ". <type>, <threshold>, and <orientation> operate as in the "threshold" filter (see above). <include|exclude> is optional and has value "include" (the default) or "exclude". If "exclude" is used the filter drops spectra that match the various criteria instead of keeping them. So yours should be: mzPresent [366.14] mzTol=.02mz type=bpi-relative threshold=1 Hope this helps, -Matt On 11/9/2017 2:24 PM, Froehlich, John wrote: > > Hi there, > > I was on the paper for the mzPresent tool development, and I’m writing today because I can’t seem to get it to work within msaccess. > > I am trying to use mzPresent within the msaccess tool to generate a tsv file. I had some issue, so I started trying to use mzPresent > within the msconvert setup. Following these directions (below), would not generate an MGF file, however: > > “mzPresent <tolerance> <type> <threshold> <orientation> <mz_list> [<include_or_exclude>] > This filter is similar to the "threshold" filter, with a few more options. > <tolerance> is specified as a number and units (PPM or MZ). For example, "5 PPM" or "2.1 MZ". > <type>, <threshold>, and <orientation> operate as in the "threshold" filter (see above). > <mz_list> is a list of mz values of the form [mz1,mz2, ... mzn] (for example, "[100, 300, 405.6]"). Data points within <tolerance> of any > of these values will be kept. > <include_or_exclude> is optional and has value "include" (the default) or "exclude". If "exclude" is used the filter drops data points > that match the various criteria instead of keeping them.” > > It seems that the <mz_list> has to come first, contrary to what we see on the directions? For example, trying this in the CMD window fails: > > C:\Users\ch145448>msconvert --mgf "C:\Users\ch145448\Dropbox\LAB_SHARE\GLAZER\RAW_Files\JF_IGDHilic_Tryp_Gfrac3.raw" --filter "mzPresent > .02 MZ bpi-relative 1 most-intense [366.14] include" > > format: MGF > > outputPath: . > > extension: .mgf > > contactFilename: > > filters: > > mzPresent .02 MZ bpi-relative 1 most-intense [366.14] include > > filenames: > > C:\Users\ch145448\Dropbox\LAB_SHARE\GLAZER\RAW_Files\JF_IGDHilic_Tryp_Gfrac3.raw > > processing file: C:\Users\ch145448\Dropbox\LAB_SHARE\GLAZER\RAW_Files\JF_IGDHilic_Tryp_Gfrac3.raw > > Error writing run 1 in "JF_IGDHilic_Tryp_Gfrac3.raw": > > [SpectrumListFactory::filterCreator_mzPresent()] mzPresent filter expected a list of mz values like > > "[100,200,300.4]" > > However, putting the <mz_list> first does generate an mgf file, but the MGF file will not change regardless of what values of <tolerance> > or <threshold> we use. Do you know what the defaults of <tolerance> or <threshold> might be? It seems that I am not actually passing > these parameters on correctly. > > C:\Users\ch145448>msconvert --mgf "C:\Users\ch145448\Dropbox\LAB_SHARE\GLAZER\RAW_Files\JF_IGDHilic_ > > Tryp_Gfrac3.raw" --filter "mzPresent [366.14] .02 MZ bpi-relative 1 include" > > format: MGF > > outputPath: . > > extension: .mgf > > contactFilename: > > filters: > > mzPresent [366.14] .02 MZ bpi-relative 1 include > > filenames: > > C:\Users\ch145448\Dropbox\LAB_SHARE\GLAZER\RAW_Files\JF_IGDHilic_Tryp_Gfrac3.raw > > processing file: C:\Users\ch145448\Dropbox\LAB_SHARE\GLAZER\RAW_Files\JF_IGDHilic_Tryp_Gfrac3.raw > > writing output file: .\JF_IGDHilic_Tryp_Gfrac3.mgf > > the full mgf is about 2 times larger than the one that gets mzPresent filtered. So it must be doing something, I just can’t get it to > work properly. Do you have any advice on something else to try? > > Version info: > > ProteoWizard release: 3.0.11417 (2017-10-3) > > ProteoWizard MSData: 3.0.11392 (2017-9-18) > > ProteoWizard Analysis: 3.0.11417 (2017-10-3) > > Build date: Oct 4 2017 00:40:40 > > ** > > Thanks! > > -John > > /John Froehlich/ > > /Instructor/ > > /(617) 919-2022 (x42022)/ > > /Enders 1054/ > > > > ------------------------------------------------------------------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! http://sdm.link/slashdot > > > _______________________________________________ > proteowizard-support mailing list > pro...@li... > https://lists.sourceforge.net/lists/listinfo/proteowizard-support |