I agree that it probably doesn't affect the final results when looking at the areas - however the XIC figures that MZmine are generating are off which is confusing. Also, since I'm looking at durations, the last data point can easily make a 10% difference in the elution duration of a peak. This is why I think it would be nice to fix.
And I agree with not fixing the mess in the classes in the current version. Best, Thomas -----Original Message----- From: Tomas Pluskal [mailto:plus...@oist.jp] Sent: 1. april 2015 10:43 To: Developer discussion Subject: Re: [Mzmine-devel] Problem with Gap.java Hi Thomas, > The reason is that no zero value data point is added at the end of a peak to > currentPeakDataPoints for some of the peaks. I have no idea why and was > hoping that someone with more knowledge about the algorithm could have a look > at what is causing this. I expect that this bug also exist in the gap filling > module and therefore I think it is of high priority to fix this. I'd argue with the high priority... Although I agree this should be fixed at some point, I think it is the kind of bug that has minimal effect on the final results (e.g., the biological conclusions coming from your experiments). That is because the last tiny data point will not make any dramatic difference in the peak area. As you already noticed, there is currently quite a mess in these classes in MZmine (multiple Gap.java, etc.). That's the reason why I am trying to move all the algorithms into MSDK with a new, solid data model. I think fixing these problems MZmine now is not worth the time invested. > > Happy Easter everyone – I hope you have a nice time with your family and > loved ones! Happy Easter to you, too :) 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 ------------------------------------------------------------------------------ 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
