Re: [Mzmine-devel] Java run time error

2012-10-02 Thread Gavin Blackburn
I wasn't sure if that was an acceptable word around here. Most Java developers I know avoid it like actors avoid "MacBeth"! :) Cheers, Gavin. From: Tomas Pluskal [mailto:plus...@oist.jp] Sent: 02 October 2012 03:20 To: Developer discussion Subject: Re: [Mzmine-devel] Java run time error Were y

Re: [Mzmine-devel] Java run time error

2012-10-01 Thread Gavin Blackburn
Hi Raghavendra, Were you running this from a networked drive? If so that could be the cause of the error. It's a C++ exception ending up in the VM. I thought it had been fixed though. It might be worth reporting it to Sun. Cheers, Gavin. -Original Message- From: Raghavendra Gunnaiah [

Re: [Mzmine-devel] how to extract positive and negative MS1 scan data separately from a single Thermo raw file that contains MS1 data in both positive and negative modes.

2012-02-20 Thread Gavin Blackburn
Hi, MSConvert can separate out the positive and negative data strings in Thermo .RAW files. It is part of the Proteowizard tool set and there is a GUI version if you don't want to run it from the command-line. Cheers, Gavin. From: Hirogoec [mailto:hirog...@hotmail.com] Sent: 20 February 2012

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

2011-12-22 Thread Gavin Blackburn
Hi Angela, I think MZmine requires retention time to pick peaks. If you are doing direct injection maybe a simple comparison of m/z's in excel would be a good place to start? Cheers, Gavin. -Original Message- From: a.ma...@studenti.unisa.it [mailto:a.ma...@studenti.unisa.it] Sent: 22

Re: [Mzmine-devel] Mzmine-devel Digest, Vol 43, Issue 8

2011-12-21 Thread Gavin Blackburn
Hi, I think if you download the 32-bit version of Proteowizard and run msconvert on 64-bit windows it will sort out MS Filereader for you. I'm not sure if you'd then have to point mzmine to the correct location but it might be another way to get round the problem of directly reading .raw files.

Re: [Mzmine-devel] Thermo raw files and Linux

2011-11-10 Thread Gavin Blackburn
Hi Angela, I would suggest msconvert as readw is no longer supported. Msconvert is part of Proteowizard which can be downloaded here: http://proteowizard.sourceforge.net/downloads.shtml It is possible to run the windows version on msconvert under WINE on Linux but to be honest you are best hav

Re: [Mzmine-devel] Missing peaks in MzMine

2011-10-17 Thread Gavin Blackburn
using using the Agilent software to export the .d file as .mzdata but it resulted in an even lower quality data file. Re: [Mzmine-devel] Missing peaks in MzMine From: Gavin Blackburn - 2011-10-13 08:53 Hi Julian, It depends on the file. Is it in centroid or profile mode? I'm not fam

Re: [Mzmine-devel] Missing peaks in MzMine

2011-10-13 Thread Gavin Blackburn
Hi Julian, It depends on the file. Is it in centroid or profile mode? I'm not familiar with .d files so I don't know which it would be. If it is in profile mode you need to use the peak picking filter. Also, are you using the msconvertGUI.exe or running it through a shell like R? Cheers, Gavi

Re: [Mzmine-devel] Missing peaks in MzMine

2011-10-12 Thread Gavin Blackburn
Hi Julian, Is that before or after processing with MzMine? You could try opening the mzXML file with the insilicos viewer (http://insilicos.com/products/insilicos-viewer-1) and compare that to the original .d file to check it is being converted properly. Cheers, Gavin. From: Julian Kang [mai

Re: [Mzmine-devel] MZmine for ".wiff" data

2011-07-12 Thread Gavin Blackburn
Hi Gao, You can use msconvert from the proteowizard tool kit to convert .wiif to mzXML files for processing in MZmine. Gavin. From: Oresic Matej [mailto:matej.ore...@vtt.fi] Sent: 08 July 2011 21:43 To: ''mzmine-devel@lists.sourceforge.net' (mzmine-devel@lists.sourceforge.net)' Cc: 'er...@nus.e

Re: [Mzmine-devel] mzMine problems

2010-11-24 Thread Gavin Blackburn
Hi Angela, I think you need Version 2.0 for the conversion to work. There are other options for converting raw files. The thermo platform will let you convert them to netCDF files or you can use ReAdW to convert them to mzXML, all of which can be read in MZmine 2. What mass spec are you using?