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Title: Working with profile mode data
Post by: igarber on September 18, 2015, 03:15:01 PM

I am trying to process data from a UPLC-QTOF experiment using centWave. However, I've realized that my mzXML files contain data in profile mode, not centroid. The data have come from another lab, so I don't have an easy way to re-obtain the original .d files.

My questions are:

1) Is there an alternative to centWave that will handle high resolution spectra in profile mode?

2) Is there a way to convert mzXML files in profile mode to centroid mode? Keep in mind that I don't have the original files in .d format.

Thanks!
Ian Garber

Title: Re: Working with profile mode data
Post by: Jan Stanstrup on September 19, 2015, 04:45:07 AM

1) I don't think so
2) Yes. you can use msconvert from proteowizard to re-convert the files and centroid the data. The peakPicking filter should be what you need.

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Software => R => XCMS => Topic started by: igarber on September 18, 2015, 03:15:01 PM