[Mzmine-devel] How to sort peak-list by adduct parent ion?

2012-03-28 Thread Pudney Chris (ext) GBJH
G'day, The Adduct search module adds an identity to adduct peaks of the form adduct of Then if you sort a peak-list by identity adducts get sorted by adduct name/mass (and then ). It would be nice to be able to sort peaks by parent ion. I can't come up with a neat way of doing this. The b

[Mzmine-devel] Caution with Gap fill re: Identification

2012-03-28 Thread mark.earll
Dear fellow mzMine users, We have discovered a subtle problem with using the Gap-Fill function for aligned peak lists. The average mass is calculated after gap-filling and this appears to often be different than the true exact mass, presumably due to gap filled peaks with slightly different ma

Re: [Mzmine-devel] cannot reopen mzmine file saved with 2.7 on Mac or Windows PC

2012-03-28 Thread Tomas Pluskal
Hi Sanford, Where exactly are you looking? I see the link to download version 2.7.1 both here http://mzmine.sourceforge.net/download.shtml as well as here http://sourceforge.net/projects/mzmine/files/mzmine2/2.7/ Tomas From: Sanford P. Markey [mark...@mail.nih.go

Re: [Mzmine-devel] cannot reopen mzmine file saved with 2.7 on Mac or Windows PC

2012-03-28 Thread Sanford P. Markey
Tomas, We appreciate the bug fix, but note while the log documentation at the sourceforge site reflects the change, the download files remain v2.7, not 2.7.1 and are dated March 21, not March 28. best regards, Sandy On Mar 28, 2012, at 4:01 AM, Tomas Pluskal wrote: > Hi Sanford, > > I foun

Re: [Mzmine-devel] cannot reopen mzmine file saved with 2.7 on Mac or Windows PC

2012-03-28 Thread Tomas Pluskal
Hi Sanford, I found the cause of the problem and fixed it. Since this problem made the version 2.7 quite unusable, I released an updated version 2.7.1. Please download it from the website (http://mzmine.sourceforge.net/) and let me know if you find any further problems. Best regards, Tomas