On Mon, Jan 9, 2012 at 3:42 AM, Antony Williams <willia...@rsc.org> wrote:
> Not sure whether this is of any value but Bob Lancashire's JSPecView
> applet has JCAMP reading built in and is Open Source. Might be of value to
> look into that code?
>
Thanks,
Indeed and JSpecview has its own CML convention.
I have now got a system that reads Bruker JCAMP files - I think the problem
was a new features that confused the parser. That will also work for the
"Topspin" format (except for the binary (real, imag) components of the
spectrum. I think the format of these is known/tractable
>
> Antony Williams PhD, FRSC
> VP Strategic Development
> ChemSpider, Royal Society of Chemistry
> Learn About.Me<http://about.me/ChemConnector>
> Phone: +1 (919) 201-1516
> Email: willia...@rsc.org<mailto:willia...@rsc.org>
> Twitter: http://twitter.com/ChemConnector
> ________________________________
> From: peter.murray.r...@googlemail.com [peter.murray.r...@googlemail.com]
> On Behalf Of Peter Murray-Rust [pm...@cam.ac.uk]
> Sent: Sunday, January 08, 2012 12:19 PM
> To: Antony Williams
> Cc: Egon Willighagen; BlueObelisk-Discuss;
> semantic-physical-scie...@googlegroups.com
> Subject: Re: [BlueObelisk-discuss] Current status of JCAMP parsers
>
> Thanks Tony,
> My recollection (about 2005) was that Creon donated the JCAMP library
> software as Open Source but indicated that they wouldn't be supporting it.
> I have now written code to ingest, if not understand, Bruker JCAMP.
>
> On Sun, Jan 8, 2012 at 4:21 PM, Antony Williams <willia...@rsc.org<mailto:
> willia...@rsc.org>> wrote:
> My recollection is that CreonLabcontrol was purchased by Waters so it
> would be Waters that would need to provide any update probably. Confirmed
> by Wikipedia: http://limswiki.org/index.php/Creon_Lab_Control_AG (which I
> didn't expect!)
>
> Waters have definitely continued to work on spectral display since the
> acquisition. Cheers
>
> Antony Williams PhD, FRSC
> VP Strategic Development
> ChemSpider, Royal Society of Chemistry
> Learn About.Me<http://about.me/ChemConnector>
> Phone: +1 (919) 201-1516<tel:%2B1%20%28919%29%20201-1516>
> Email: willia...@rsc.org<mailto:willia...@rsc.org><mailto:
> willia...@rsc.org<mailto:willia...@rsc.org>>
> Twitter: http://twitter.com/ChemConnector
> ________________________________
>
>
> --
> Peter Murray-Rust
> Reader in Molecular Informatics
> Unilever Centre, Dep. Of Chemistry
> University of Cambridge
> CB2 1EW, UK
> +44-1223-763069
>
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--
Peter Murray-Rust
Reader in Molecular Informatics
Unilever Centre, Dep. Of Chemistry
University of Cambridge
CB2 1EW, UK
+44-1223-763069
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