Re: [Mzmine-devel] reading retention time from mzML

2011-08-31 Thread Tomas Pluskal
eply, > > > Steven Robles > Design Engineer - Software > LECO Corporation - Separation Sciences > http://www.leco.com > > > > -Original Message- > From: Tomas Pluskal [mailto:plus...@oist.jp] > Sent: Wednesday, August 31, 2011 3:17 AM > To: Develope

Re: [Mzmine-devel] reading retention time from mzML

2011-08-31 Thread Robles, Steve
bles Design Engineer - Software LECO Corporation - Separation Sciences http://www.leco.com -Original Message- From: Tomas Pluskal [mailto:plus...@oist.jp] Sent: Wednesday, August 31, 2011 3:17 AM To: Developer discussion Cc: Robles, Steve Subject: Re: [Mzmine-devel] reading retention time from

Re: [Mzmine-devel] reading retention time from mzML

2011-08-31 Thread Tomas Pluskal
Hi Steve, As far as I understand, the common practice in mzML is to use the term MS:116 for retention time: [Term] relationship: has_units UO:031 ! minute id: MS:116 name: scan start time def: "The time that an analyzer started a scan, relative to the start of the MS run." [PSI:MS]

[Mzmine-devel] reading retention time from mzML

2011-08-30 Thread Robles, Steve
Hello, Our software exports mzML 1.1 and the most recent version of MZmine 2.2 can open the files but it doesn't seem to read the retention time. The specific mzML includes local retention time and elution time CV elements but these don't show up. See terms below and attached mzML for an exampl