ClavelLab / maldipickr

Dereplicate And Cherry-pick Mass Spectrometry Spectra
https://clavellab.github.io/maldipickr/
GNU General Public License v3.0
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read in mzML files instead of fid/acqu proprietary format #39

Open cpauvert opened 8 months ago

cpauvert commented 8 months ago

File format conversion can be made with the compass software, see https://github.com/rformassspectrometry/RforMassSpectrometry.org/issues/18#issuecomment-1834408893

cpauvert commented 8 months ago

Export works only for one spectrum at a time though....

The Export\ Raw Spectrum as mzXML option offers the export of the unprocessed spectrum in the mzXML format. A dialog appears to specify the file name and location. If you want to export more than one spectrum at a time into the mzXML format, the Bruker program CompassXport will be a good choice. It is available for download from our homepage. https://researchservices.pitt.edu/sites/default/files/flexAnalysis%20User%20Manual.pdf p.31