AlanRace / SpectralAnalysis

Software for the analysis and interactive exploration of spectral imaging data
https://alanrace.github.io/SpectralAnalysis/
Apache License 2.0
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[FEATURE] struggling to pre-process orbitrap data #45

Open inesboxexa opened 3 years ago

inesboxexa commented 3 years ago

Hi Alan.

I have got some orbi sims data (exported using profile mode) which I'm not able to pre-process. Essentially, I think the data has the top of the peaks only (no zeros) and something goes wrong when loading it into SA. See the result of using the pre-processing option "orbitrap":

orbitrap_preprocessing

Any idea?

I did try to use the peak picked data (I think its called centroided in the sims software). That data is ok, but when I ppm re-bin for the same of being able to combine multiple datasets in one, I saw the shift of the peaks maximum to the left.

Let me know what you think.

Thank you Teresa