Open source Chemstation alternative

[eselmeister]

Hi folks,

I've written an open source Chemstation alternative called OpenChrom:
http://sourceforge.net/projects/openchrom

It's available for several operating systems (Windows, Mac OS X, Linux, Unix) and processor types (x86, x86_64, ppc).
Further plugins can be also installed, for example an import converter for "Agilent Chemstation (*.D)" files:
http://www.openchrom.net/plugins/converter/agilent

A paper has been published on BMC Bioinformatics:
http://www.biomedcentral.com/1471-2105/11/405/abstract

Feel free to download, use and extend it.

[Forse]

Looks nice. I have already installed it, but not yet used it.

[Cynthia]

Hi eselmeister,

I have installed the software, but cannot download the agilent plugin. I am on university internet connection, so I have to supply my internet username and password and I think that is the problem. The software cannot establish an internet connection to download and install the plugin I want.

Now, all I usually have to do to solve this problem is find the options menu to input my internet details and proxy settings, but there is no such menu in the OpenChrom software.

How do I solve this if I cannot input my internet details?

I am really excited to use this software for LC data processing as we are having much trouble in that area at the moment..

Cindy

[eselmeister]

Hi Cindy,

I'll have a look, if it's possible to edit the proxy settings in OpenChrom.
Are you able to open the url http://www.openchrom.net/plugins/converter/agilent in a browser?

Cheers,
Philip

[eselmeister]

Hi Cindy,

I've included a feature for HTTP proxy settings and compiled a previous release version for you. You can get the previous version at:
http://www.openchrom.net/main/content/downloads-preview.php

The Agilent file converter is also available for the previous version. Install it using the following update site:
http://www.openchrom.net/plugins/converter/agilent/prev

To set the HTTP proxy settings, open the "Preferences" and select the entry "Network Connections".






It hopefully fits your needs.


Cheers,
eselmeister

[Cynthia]

Thanks esel!

I will definitely try it!

[Peter Apps]

Hi eselmeister

I use Varian MSWorkStation, can the OpenChrom software interface with MSWS data files ? Specifically I am looking for a way to automate the export of integration results from SIM chromatograms extracted from TICs - there are 300 SIM chromatograms for every sample, so doing it manually using the MSWS export function is prohibitively time consuming (not to methion mind numbingly tedious !)

Thanks Peter

[eselmeister]

Hi Peter,

Varian MSWorkStation files are currently not supported, sorry. But it's possible to program and include a new converter for Varian files if I'm able to decode the MS file format or get the specification from elsewhere. If you'd like to, you could send me a test data file as best converted to netCDF or mzMXL too. I could give my best to decode the file format structure.

Write a short message to me at:
http://www.openchrom.net/main/content/contact.php

I'll give you a reply so that you'll get my e-mail address.


Cheers,
eselmeister

[Peter Apps]

Thank you eselmeister, a message is on its way.

Peter

[xkakaltun]

Does anyone know of a smilar (open source) alternative for anlaysis of HPLC data? I am also using an agilent system to acquire the raw data..

[eselmeister]

Hi xkakaltun,

not yet, but it's on my list to extend OpenChrom also for other detectors. In a next step, I'd like to implement a support for FID data, other detectors may follow. The functionality will be hopefully available in the first half of the next year.


Cheers,
eselmeister

[HPtarget]

I am at the moment using a Old Target Thru-put running on HP unix 10.2, and it runs very fast around 10 to 15 users but the hard ware is very out dated. It works on any chemstation software but not for the Chemstation B 32bit version unless we change it to .cdf, but i would like to find alternate and i have tried Mass hunter ( no where near for production and the learning curve on it), chemstation for MS is nice but it still seems a step backgrounds since when you are using several stations and working up data it slower even if it has the ability to use updated hardware, and Chemstation B will not work for multisystems. Final note it is funny Target came out so many years ago and it is so beyond now-a-days production softwares. I am still looking for something that can use a server type data system for 30 machines which will able to run.

It would be nice to have the source code of Target software that was compiled on the oringal unix 10.2 and updated to a linux service system with the Varitas file system with Red Hat with xfce or something liter to really get some performance.

[tomcruise]

nice post-----------

[tlahren]

eselmeister,

Does OpenChrom have support for it's own quantitation database or is it still mostly qualitative?

[eselmeister]

OpenChrom has no capabilities for quantification at the moment, but I'm still working on the issue. A quantification support is planned for the release 0.8.0, scheduled for April 2013. Because OpenChrom shall be usable in a variety of cases, I'll try to make the quantification support as generic as possible. Hence, feel free to contact me and to give me as much ideas for use cases / and wishes as possible.

Contact me:
http://www.openchrom.net/main/content/contact.php