On our Avance III 500 we use Topshim quite successfully for any probe with a gradient coil. The only time we have a problem is with CDCl3 solvent on our 1.7 mm TXI probe, where Topshim fails with a complaint about the signal to noise ratio being too low. This is not surprising for a microprobe, as CDCl3 has the lowest signal of any common deuterated solvent. We have confirmed that the 2H pulse length is correct in the prosol file.
An obvious solution would be to increase the nunber of scans for this probe/solvent combination. There seem to be probe and solvent specific parameter files in the topshim folder (under ..\conf\instr). I have tried making some changes to these files in the obvious places, but the number of scans used always seems to remain at the default (4 for 2H).
Does anyone know how to do this properly?
Thanks
-Kirk
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[Question from NMRWiki Q&A forum] topshim giving worse lineshape
topshim giving worse lineshape
HION bruker av-500 topshim giving worse line shape spectra for e.g it is getting the right keys but in wrong direction I mean it is adding too much in z3 and z5 but manualy it is nedded to minus.have any body any idea why it is?Thanks in advance for answering.
with best regardferoon
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[Question from NMRWiki Q&A forum] same parameters but difference in phase why?
same parameters but difference in phase why?
hi, though this question seems to be easy for you but i am new for this software and to this field. Recently, i took silicon spectra in 500mhz(bruker) seems to be good (i.e.one silicon peak and one nmr tubes broad peak) but when i used same parameters for another sample where i got single peak as i expected but nmr tube peak is inverse this time. I just copied previous parameters only why i got such a inverse signal.If anybody know please help me.
thank you
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Script to obtain order parameters from a structure
A Python script for prediction of order paramter from a structure is available from this website.
The script is based on the following paper
F. Zhang and R. Brüschweiler (2002) "Contact Model for the Prediction of NMR N-H Order Parameters in Globular Proteins" J. Am. Chem. Soc. 124(43), 12654-12655.