Re: [Mzmine-devel] Mass for identified compounds

2015-01-07 Thread Tomas Pluskal
No reason, just lack of effort :) Tomas On Jan 7, 2015, at 23:01, TFRD (Thomas Franck Dyrlund) mailto:[email protected]>> wrote: I noticed that compounds identified in MZmine don’t have a calculated mass value associated: Is there a reason for this? Best regards, Thomas _

[Mzmine-devel] Mass for identified compounds

2015-01-07 Thread TFRD (Thomas Franck Dyrlund)
I noticed that compounds identified in MZmine don't have a calculated mass value associated: [cid:[email protected]] Is there a reason for this? Best regards, Thomas Thomas F. Dyrlund Post Doctoral Researcher Research, Systems Medicine Steno Diabetes

Re: [Mzmine-devel] Centroided data error and other queries

2015-01-07 Thread Tomas Pluskal
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 detect

[Mzmine-devel] Centroided data error and other queries

2015-01-07 Thread Peter Harrison
Hi everyone, I am new to Mzmine, so apologies for any repeated queries or beginners mistakes! 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 result