Hi Anthony,
Do you see this problem with any data file or only some of them? Are all the
files 100% in profile mode?
Can you send an example raw file?
Tomas
On Dec 29, 2014, at 12:23 AM, Anthony Carrasquillo
<acarr...@mit.edu<mailto:acarr...@mit.edu>> wrote:
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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