Subject: AW: [nmr_sparky] error while converting bruker files
From: dschroeder@...
Date: Jun 29, 2018

Previous: 1397 Next: 1399


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