Does msconvert do deisotoping of isotopic clusters and charge-deconvolution, as described in the webpage on "ms2 spectrum processor": <goog_227330860>*http://ms.imp.ac.at/?goto=ms2spectrumprocessor * * * If not, is there any recommended open-source solution for this? The best I could find so far is this publication by Pavel Pezner which does describe 1 free (not sure if it's open source) solution: * http://www.mcponline.org/content/9/12/2772.full.pdf * On Thursday, 15 July 2010 16:23:41 UTC-4, Alex_PCB wrote: > > I believe you could use OpenMS to post-process your mzML files. > cheers, > alex > > On Jul 14, 7:49 pm, Matthew Chambers <[email protected]> > wrote: > > Unfortunately, charge state information is not available in the RAW > data, so charge state would be a post-processing step. There is also no > vendor-provided > > peak picking, so any centroiding has to be post-processing as well. > Waters's best solution for this is the not-free ProteinLynx Global Server > (PLGS) which does > > both charge state determination and centroiding. MassLynx itself can do > some denoising and peak picking, but not charge state inference IIRC. > > > > There may be some good post-processing tools for inferring charge state > and centroiding out there, but I'm not aware of ones that that both do a > good job AND > > read mz[X]ML AND write mz[X]ML. Perhaps someone else can clue me in on > that. > > > > -Matt > > > > On 7/13/2010 3:57 PM, Joo wrote: > > > > > > > > > I have a Q-TOF dataset > > > I converted .RAW files to mzXML using massWolf_2006Nov06 > > > I got mzXML but it does not contains charge state, and the peaks do > > > not seem to be cetroided peaks,,, > > > I need deisotoped, centroided peak list > > > Is there any option that does deisotoping and centroiding in massWolf? > > > if not, is there any other software that could convert Q-Tof .RAW file > > > to mzXML file > > > I need help~
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