Hi Peter, > I am analysing thermo .raw files using Mzmine and I keep getting an error > message which says “1 or more data files contain centroided data at MS1 > level, the mass detection may produce unexpected results”. This occurred when > using the wavelet transform algorithm for mass detection.
If your data is centroided, you should not use the wavelet transform algorithm. Check the details in the manual. If your data is not centroided, that means the centroid/profile auto detection did not work properly. In that case I would like to see your .raw file, if possible. > Is there any way to use ITMS or negative channels from thermo .raw files? At > the moment I seem only to be able to access the FTMS positive channel. Maybe. Hint: please follow the 'How to report problems' section of the manual. > Finally, is there any way use Mzmine to analyse thermo .raw files on a > computer which does not have the thermo XCalibur software on it? MZmine does not require Xcalibur to read Thermo .raw files. It uses the MSFileReader library, which is freely downloadable from Thermo website. > (ie: load the samples onto Mzmine at my work computer which has the XCalibur > software, but then save the project in some way so that I can continue to > analyse these files on my laptop, which does not have the XCalibur software.) Yes, this works. Just try it. Best regards, Tomas =============================================== Tomas Pluskal G0 Cell Unit, Okinawa Institute of Science and Technology Graduate University 1919-1 Tancha, Onna-son, Okinawa 904-0495, Japan WWW: https://groups.oist.jp/g0 TEL: +81-98-966-8684 Fax: +81-98-966-2890 ------------------------------------------------------------------------------ Dive into the World of Parallel Programming! The Go Parallel Website, sponsored by Intel and developed in partnership with Slashdot Media, is your hub for all things parallel software development, from weekly thought leadership blogs to news, videos, case studies, tutorials and more. Take a look and join the conversation now. http://goparallel.sourceforge.net _______________________________________________ Mzmine-devel mailing list Mzmine-devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/mzmine-devel
