Hi Everyone, I am analyzing thermo .raw files with mz mine and am getting an error message that “the data file contains centroided data at ms1and the mass detection may produce unexpected results”. I had tried running with exact mass in the mass detection operation.
I am running the development build MZmine-2.13 as Tomas recommended the following when he looked at my data files: I also noticed another problem with your data in MZmine: the centroid/profile spectra autodetection did not work well on your data, causing some data points to be lost. I fixed the problem and the fix will be included in version 2.13. In the meantime, you can download the development build from here: https://www.dropbox.com/s/3lgdd9bpcvpizw9/MZmine-2.13.zip?dl=0 I recommend to use this build instead of version 2.12. (1) Mzmine version 2.13 (64-bit OS) with JAVA 8 version 25 (build 1.8.0_25-b18). (2) I have kept all of the heap files the same, however, I changed the size such that I am allowing 1300MB to be allotted to Java. I don’t know how to tell if I’m missing points or not. Any advice would be greatly appreciated. Thanks Anthony
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