How to process 3D spectra with NUS from Bruker Avance Neo 600:

1. After collect a 3D data in NUS on our Bruker Avance Neo, cd foldername,

2. Type: bruker -nus,  and click “read parameters button”, and choose the corresponding values according to your 3D expt. ; and then save as a fid.com macro.

3. Run your own macro to change the corresponding parameters with the right referencing values.

4. Run fid.com macro and will create fid and mask folders, and ser_full binary file.

5. Run fid_3d.com macro as the following, and do phase correction and seconday dimension reversion if it’s necessary, a ft folder will be created, and a nmr.com macro will be created too:

#!/bin/csh

basicFT3.com -in fid/test%03d.fid -out ft/test%03d.ft3 \

-xP0 89 -xP1 0 -xEXTX1 10.5ppm -xEXTXN 5.3ppm \

#     -yFTARG alt,neg \

-yP0 0 -yP1 0 \

-zFTARG alt

proj3D.tcl -in ft/test%03d.ft3

6. Run fid_nus3d.com macro as the following to create the final  spectra file you want, an ist folder will be created:

#!/bin/csh

ist3D.com \

-in fid/test%03d.fid -mask mask/test%03d.fid –out ist/test%03d.ft3 \

-xP0 89 -xP1 0 -xEXTX1 10.5ppm -xEXTXN 5.3ppm \

#      -yFTARG alt,neg \

-yP0 0 -yP1 0 \

-zFTARG alt

proj3D.tcl -in ist/test%03d.ft3

xyz2pipe -in ist/test%03d.ft3 -verb \

| pipe2xyz -out hnco.nv -nv -ov

7. run  the following macro to estimate the convergence parameter: istMaxRes

specStat.com -in ft/test%03d.ft3 -stat istMaxRes

edited on 6/11/18, by HW

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