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OpenChrom / OpenTyper

MALDI-TOF MS interface for OpenChrom/ChemClipse
https://lablicate.com/applications/maldi
Eclipse Public License 1.0
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auto-detect profile mass spectra #26

Closed Mailaender closed 6 years ago

Mailaender commented 6 years ago

At least the Bruker flex file format #18 contains the information and we also parse and save it:

[...]

// MASS SPECTRUM (CENTROID OR PROFILE)
value = extractValue(ACQU_DATATYPE, line);
if(value != null) {
    if(value.contains("CONTINUOUS")) {
        massSpectrumType = 1; // profile
    } else {
        massSpectrumType = 0; // centroid
    }
}

[...]

It is exposed in the interface IRegularMassSpectrum. So in my eyes the preference can be obsoleted and there is also no need for writing specialized MALDI-TOF MS spectrum views like ProfileMassSpectrumViewTOF.java

Mailaender commented 6 years ago

See upstream https://bugs.eclipse.org/bugs/show_bug.cgi?id=529180 :ballot_box_with_check: