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sgibb / MALDIquant

Quantitative Analysis of Mass Spectrometry Data
https://strimmerlab.github.io/software/maldiquant/
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test for centroided/missing data #23

Closed sgibb closed 11 years ago

sgibb commented 11 years ago

Centroided or missing mass values break our window-based baseline correction and peak detection algorithms. That's why the constructor createMassSpectrum has to test for centroided or missing mass values and shows a warning if needed.

sgibb commented 11 years ago

add isRegular (1a017ef7791447efdf3a2b84230d34740d78abb4)

hsiaoyi0504 commented 7 years ago

So if I use isRegular and get the result of TRUE, I can conclude that my data is profile data?

sgibb commented 7 years ago

You are right: if isRegular is TRUE your data are in profile mode and nothing was filtered. If isRegular returns FALSE your data are centroided or filtered (e.g. CompassXport removes m/z values which corresponding intensity values are zero from profile).

hsiaoyi0504 commented 7 years ago

Thank you for your reply. I open an issue I found recently here.