Re: [Mzmine-devel] Process MS files by MZmine

2012-01-09 Thread Tomas Pluskal
Hi Angela, Sorry for the late response. As Gavin already pointed out, you cannot really do peak picking without the retention time information. You may get some results if you set the retention time tolerance to a very high number, but I am not sure how MZmine is going to behave with such data

Re: [Mzmine-devel] Process MS files by MZmine

2011-12-22 Thread Gavin Blackburn
Sent: 22 December 2011 12:19 To: Developer discussion Subject: Re: [Mzmine-devel] Process MS files by MZmine Hi Tomas, Sorry if I was not so clear. I meant that differently from LC-MS spectra in which Retention Time and m/z are very important parameters for comparison between different samples, may

Re: [Mzmine-devel] Process MS files by MZmine

2011-12-22 Thread a . mari6
Hi Tomas, Sorry if I was not so clear. I meant that differently from LC-MS spectra in which Retention Time and m/z are very important parameters for comparison between different samples, maybe in MS eexperiments(direct introduction-flow injection) Retention Time could be considered less importan

Re: [Mzmine-devel] Process MS files by MZmine

2011-12-20 Thread Tomas Pluskal
Hi Angela, I don't understand this sentence: "I'm processing MS spectra (so RT is not the main parameter)" What do you mean by RT is not the main parameter? Tomas On Dec 16, 2011, at 7:10 PM, a.ma...@studenti.unisa.it wrote: > Dear MZmine team, > I've 8 MS spectra (ESI/(LIT)MS-Thermo) to comp

[Mzmine-devel] Process MS files by MZmine

2011-12-16 Thread a . mari6
Dear MZmine team, I've 8 MS spectra (ESI/(LIT)MS-Thermo) to compare and each file contains both MS and MSn experiments. I'm interested in processing and comparing only fullMS spectra by MZmine. At first I've applied the data set filter (crop filter) to define RT range for each spectra (differe