Hi Emeline,
Splitting the data into individual 2D planes and loading each separately into
Analysis is indeed tedious.
There are a couple of ways to load the full pseudo-3D as a single experiment (and
which also load the parameter values for the pseudo-dimension).
You can process in Topspin (tf3 ; tf2 etc), and then load into Analysis by
choosing "Bruker" for the File format in the "Experiment: Open Spectra"
dialogue-box. Then choose the procs file that corresponds to the pseudo-3D
procno. You then get an additional dialogue where you can explicitly set the
number of points in the pseudo-dim and specify the corresponding parameter values
(or these can be populated by reading the Bruker vdlist file from inside the
experiment directory).
Alternatively, you can process the pseudo-3D using nmrPipe, and then convert the
nmrPipe data to Azara format using pipe2azara. This will give an spc.par file
that includes a line headed with the keyword "params" for the pseudo-dim. Edit
this file manually to enter the parameter values for the pseudo-dim as a
space-separated list after the params keyword. Then load into Analysis by
choosing "Azara" for the File format.
(Or you can also just process with Azara from the beginning!)
Cheers
John
On 14/03/2019 15:24, Emeline Mestdach wrote:
> Dear all,
>
> I performed some relaxation experiments on a 800MHz spectrometer, dimensions
> set as following : F3:1H, F2:15N, F1:tau (acquisition order 3-1-2). I would
> like to import my data as a pseudo-3D spectrum (having planes and not chemical
> shifts in the 3rd dimension) in CCPNMR (v2.4.2 used), to be able to extract
> the intensity in each plane (using the NMR series and the tool Follow
> Intensity Changes). I have tried to import my data from UCSF format but when
> loading spectra, I can only set the 3rd dimension as a nucleus, and not as a
> pseudo one. I noticed the header of the UCSF file made using the bruk2ucsf
> command was : axis w1 w2 w3 nucleus
> 1H 15N 1H so I changed it to : axis
> w1 w2 w3 nucleus ID 15N
> 1H which results in the same (nucleus choice) for the 3 dimensions.
>
> I know I would be able to analyse my data by processing each plane in topspin
> and load them separately in CcpNmr. However, since there are 42 of them and
> that I will probably make more relaxation experiments, it would be much more
> convenient to know how to load pseudo-3D spectra in CCPNMR.
>
> If anyone has an idea, I would be grateful.
>
> Best regards, Emeline Mestdach
>
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