****************************************************************************** From: Antonio Artigues Subject: Xcalibur data file conversion Date: Fri, 27 Oct 2000 16:39:09 -0500 Organization: * Dear Colleagues, We are using an ESI LCQ (Finnigan) to do mass analysis of proteins and peptides. The averaged spectra of proteins (Abundance vs m/z) can easily be captured as an ASCII file and then it can be imported on any other programs to do further analysis. However, we need to do curve fitting of the deconvoluted spectra of proteins, that is the Abundance vs Mass spectra. Unfortunately, the software sold by Finnigan (Xcalibur, Bioworks) does not allow the capture the coordinates of the deconvoluted spectra (Abundance vs mass). Software support people at Finnigan have been unable to help us with this problem Does any one knows of a software package that can either read a Xcalibur data file or that can deconvolve an averaged spectra (Abundance vs m/z) from which I can get the X and Y values? Thanks *********************************************************** Antonio Artigues Serra School of Biological Sciences University of Missouri - Kansas City USA *********************************************************** ****************************************************************************** From: "Peter Frank" Date: Wed, 1 Nov 2000 11:13:33 -0500 Subject: Re: Xcalibur data file conversion Organization: * ACD/MS Manager will allow you to import centroid data from your instrument. From here the data can be exported as an ASCII file, J-Camp, or ESP format (ACD's format that contains structure and assignment data). This process can be performed automatically using macros. For example, a macro can be generated to save the file as ASCII, and set to run automatically when any data file is opened. As well, the peak tables, or assignments tables created during processing can be exported to the windows clipboard and pasted into any other Windows program. I would welcome the opportunity to talk to you about the other features of ACD/MS Manager that you may find useful. If you would like to send me a sample data file, I can return the ASCII output to you. Regards, Peter Frank M.Sc. peter@acdlabs.com Customer Support Specialist Advanced Chemistry Development, Inc. 90 Adelaide St. West, Suite 702 Toronto, ON Canada M5H 3V9 Phone: 416-368-3435 x243 Fax: 416-368-5596 URL: http://www.acdlabs.com/