Subject: Re: [nmr_sparky] error while converting bruker files
From: Eiso AB
Date: Jun 29, 2018

Previous: 1400

Hi David,

sparky should be able to read 2rr files fine.
A reason to use ucsf file could be that the name of the ucsf file will be reflected in the name of the .save file which can be convenient from an administrative viewpoint. Another reason is that the submatrix size of the spectra is different for 2rr/3rrr vs ucsf so that e.g. for 3D spectra with ucsf files sparky can load/show the data quicker. For 2Ds my guess is that this doesnt matter much - YMMV


goodluck,
Eiso

From: nmr_sparky@yahoogroups.com nmr_sparky@yahoogroups.com on behalf of dschroeder@... [nmr_sparky] nmr_sparky@yahoogroups.com
Sent: Friday, June 29, 2018 2:29:25 PM
To: nmr_sparky@yahoogroups.com
Subject: AW: [nmr_sparky] error while converting bruker files

Hi Marco,

Thanks for your answer. I normally use MestreNova as our Uni offered this

As primary software for NMR. However I have a coorperation with another

workgroup for molecular dynamic calculation. Within this project I was told

to use sparky due to getting good integration results for ROESY/NOESY signals.

So I don’t have that much experience about sparky. I was told to use this script for

COSY TOCSY ROESY HMBC HMQC data files. However you are right I can open directly

The 2rr file with sparky. Is there any difference compared to converting the files first, I mean

There must be one, otherwise it does not make sense that they always did it that way.

Thanks for explaining me,

David

----------------------------------------------

David Christopher Schröder, M. Sc.
Organic and Bioorganic Chemistry
Department of Chemistry
Bielefeld University
Universitätsstraße 25
D-33615 Bielefeld
49 (0)521 106 2152
 dschroeder@...

Von: nmr_sparky@yahoogroups.com nmr_sparky@yahoogroups.com
Gesendet: Freitag, 29. Juni 2018 14:05
An: nmr_sparky@yahoogroups.com
Betreff: Re: [nmr_sparky] error while converting bruker files

As far I know you do not need to convert 2rr files since Sparky is able to read it.

Best

Marco

Da: dschroeder@... [nmr_sparky] nmr_sparky@yahoogroups.com
A: nmr_sparky@yahoogroups.com
Inviato: Venerdì 29 Giugno 2018 13:55
Oggetto: [nmr_sparky] error while converting bruker files

Dear all,

I have a problem while converting bruker files to spraky file format.

P:DCS OligomereOC3_SchroederDa_0605_DCS56prepHF8C:Program Files (x86)sparky-win32sparkybinbruk2ucsf.exe pdata12rr DCS56prepHF_ROESY.ucsf

bruk2ucsf: Couldnt find parameter BYTORDP in pdata1procs

In the mailing list I found a similar error with the assumption that it is due to a network path. However I copied to my local Desktop but still get the same problem.

C:UsersDavid_SchroederDesktopOC3_SchroederDa_0605_DCS56prepHF8C:Program Files (x86)sparky-win32sparkybinbruk2ucsf.exe pdata12rr DCS56prepHF_ROESY.ucsf

bruk2ucsf: Couldnt find parameter BYTORDP in pdata1procs

In procs I also find

##$BYTORDP= 0

So I have no idea how to solve this issue.

Thank you for your help and best regards

David