Re: 20021220: Agilent lc/msd data

>To: address@hidden
>From: address@hidden
>Subject: BOUNCE address@hidden: Non-member submission from ["Ventura, Manuel" 
><address@hidden>] 
>Organization: UCAR/Unidata
>Keywords: 200212201952.gBKJqGB21318

Hi Manny,

> Is Agilent 1100 LC/MSD Chemstation data supported by netCDF?  I would like
> to be able to store the data in this format and then possibly convert to
> MassLynx data through Micromass' Databridge application.  Thanks for your
> help.

Although we develop and maintain netCDF for the geosciences, we don't
have much experience with its application to other fields such as mass
spectroscopy.  Nevertheless, I think I can answer your question.

I think the relevant standard is the ANDI/NetCDF (AIA) Mass
Spectrometry Data Interchange Format, described here, for example:

  http://www.galactic.com/instruments/aia_ms.htm

When I look at page 17 of the documentation for the Agilent 1100
LC/MSD Chemstation:

  http://www.labcompliance.com/documents/agilent/chemstation-spec-jan2002.pdf

It says

  ...
  The ChemStation can import and export data files in the ANDI
  (Analytical Data Interchange) chromatography format of the Analytical
  Instrument Association (AIA). Data import is supported at compliance
  level one (sample information and signal data) and data export at
  compliance level two (sample information, signal data and integration
  results).

To me, that looks like the interchange format you are interested in
that is based on netCDF is supported by the Chemstation.

--Russ

_____________________________________________________________________

Russ Rew                                         UCAR Unidata Program
address@hidden                     http://www.unidata.ucar.edu