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Software to quickly compare mass spectra and score distance

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Warthog

Software to compare mass spectra and determine how many similar peaks there are between them

##Versions: ####v1: Original Version:

This program reads in data from the database created in BabyKingLionCub and bins the number of overlapping peaks per edit distance. It then outputs the bins to a text file that can be used to make a histogram. If you do not specify a path for your output file, it will automatically store to the Debug folder.

####To Run: To run this program, open a new windows command prompt and type the following command:

MzMerger.exe -r PathToWhereYourDatabaseIsStored -o PathAndNameYouWantForYourOutputFile

####v2: MzMergerWithPeakShifting:

This program is similar to the original version, but now has been updated with the Query and Library objects. Within the Library class is a new set of methods which creates alternative versions of the original m/z list from the database created in Meerkat v3-LibraryCreator. These alternative m/z lists include the same values as before, but with the peaks that matched to values in the precursor list for each residue shifted by the precursor m/z value for the charge of each scan. The current output of this program is a text file containing a column of twenty-one values corresponding to the number of pairs that had each of those match numbers ranging zero to twenty.

####To Run: To run this program, open a new windows command prompt and type the following command:

MzMerger.exe -r PathToWhereYourQueryDatabaseIsStored -d PathToWhereYourLibraryDatabaseIsStored 
-p PathToWhereYourQueryAndLibraryPairsDatabaseIsStored -o PathAndNameYouWantForYourOutputFile

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Software to quickly compare mass spectra and score distance

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