Chromatography Forum

Hi all,

In order to work a file.MS (Agilent) with the software xcalibur (.RAW), I was able to :

1) convert a file (chromatogram + mass spectrum) from .MS (file.MS) to .CDF (file.CDF) by using Openchrom (no error when converting)

2) then convert the previous file.CDF to file.RAW by using xcalibur (no error when converting).

Unfortunately, when I open my file.RAW with xcalibur, I obtain an empty chromatogram that I can not exploit...

Do you have a solution for me to convert these files correctly ? I use Openchrom and xcalibur but I have not Chemstation. Thanks.

hI,

Please, could you help me ?

Thank

S

Hi,
Best option is to find a copy of the Chemstation and export to cdf from there.

Cheers
Phil

There are two NetCDF specifications for chromatography:
ASTM E1947-98, ASTM E1948-98 Standard Specification for Analytical Data Interchange Protocol for Chromatographic Data,
ASTM E2077-00, ASTM E2078-00 Standard Specification for Analytical Data Interchange Protocol for Mass Spectrometric Data.

Not sure which one writes OpenChrom.

Try this:
http://www.unichrom.com/chrom/ucce.shtml
(page states that chromatography only export supported, that is not true. Thanks to forum member who inspired me on writing LECO Pegassus import and fix NetCDF export)

ucc infile.ms outfile.cdf
or use GUI File/Open... -> File/Save As...