Institute for Advanced Biosciences Keio University
MathDAMP Mathematica package for differential analysis of metabolite profiles
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MathDAMP > Examples > MathDAMP source > Data Import/Export > mzXML format

mzXML format

DAMPImportMZXML imports the first level MS scans from an mzXML datafile. The import may be performed in either sequential or selective mode (see beginning of this section for explanation).
The function DAMP6bitTo8bit facilitates the conversion of base64 encoded m/z and signal intensity pairs to binary data.

base64enctbl = #〚1〛#〚2〛&/@Transpose[{Join[CharacterR ... ["0", "9"], {"+", "/", "="}], Range[0, 64]}] ;

DAMP6bitTo8bit = Compile[{{data, _Integer, 1}}, Module[{todrop}, todrop = Length[Cas ... 12314;3〛, 2^2] 2^6 + #〚4〛} &/@Partition[data, 4]], -todrop]] ]]

Options[DAMPImportMZXML] = {Global`Resolution1., Global`ImportModeSequential} ; <br />

DAMPImportMZXML[filename_, samplename_, opts___] := Module[{resol, md, scans, prec, todrop,  ... uot;}]] &/@scans〚All, 1〛)/60, {Global`SampleNamesamplename}} ]