bruker example for nmrml.org

[DJ]

Hi,

I put an example on my google drive: https://drive.google.com/folderview?id=0B-G26AwbdABgTHBOQ2tTMHJEblU&usp=sharing to serve as an example on nmrml.org/examples/

(Bruker 1H NMR acquisition)

Hope it will be usefull.

Cheers

Daniel

[Antonio Rosato]

Dear all

the people at the local biobank are moving their NMR spectra (mostly urine) to a new storage.

With the occasion I coulr try to convince them to convert them to nmrML (in addition to just duplicating the various Bruker folders). It would be a few thousand spectra. 

Do you think this is doable with the current (or soon available) version of the converter?

Once that is done, we could also generate the files for visualization

Please advise,

Best,

Antonio

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[Daniel JACOB]

Hi Antonio,

Yes, It is already doable to convert some thousand spectra to nmrML format.

I just put an update of the JAVA converter code that deals with acquisition and processing data (Bruker 1D spectra only at this stage).

You can view such an output example of nmrML file at https://drive.google.com/#folders/0B-G26AwbdABgTHBOQ2tTMHJEblU

It was generated by the converter JAVA without any manual intervention, and validated by the Xerces tool within oXygen software (oXygen/> XML Developer 14.2).

Cheers,

DJ

[Reza Salek]

Hi Antonio,

It would be great if someone from your group, could also check the NMR CVs, while converting files and give feedback. How doest it sound?

http://nmrml.org/cv/v1.0.rc1/doc/

What would be the best way to collect the feedbacks (from the website)? Daniel - Michael…?  link to the github?

Best wishes,

Reza

[Steffen Neumann]

Hi Daniel,

On Mon, 2014-03-03 at 12:07 +0100, Daniel JACOB wrote:
[...]

>
> You can view such an output example of nmrML file at
> https://drive.google.com/#folders/0B-G26AwbdABgTHBOQ2tTMHJEblU
> It was generated by the converter JAVA without any manual

That's cool. Can you place these files into
https://github.com/nmrML/nmrML/tree/master/examples,
under, say directory MMBBI_10M12-CE01 ?

Thanks in advance.

Yours,
Steffen



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