processing QF dimensions

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Krzysztof Kazimierczuk

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Jan 11, 2018, 8:49:49 AM1/11/18
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Dear All,

Recently, we have been asked how to process 2D spectrum QF dimension. Since it is not too often used, we do not have it in qMDD yet.
However, you can convert scripts set-up by qMDD to process QF mode if you do the following:

1. In fidSP.com modify:

a) set -yMODE to TPPI
b) make -yT equal to -yN
c) remove -di from phasing:
| nmrPipe -fn PS -p0 0 -p1 0                        \

2. Make the nuslist 2x longer than it is by default (till NIMAX 128 in you case).

3. in recFT.com :

a) Add magnitude mode:
| nmrPipe  -fn MC -di               \

b) Reverse imaginary part:
| nmrPipe  -fn FT  -neg

4. In proc.sh make NUS_POINTS, NIMAX and NI 2x larger than default


Cheers,
Krzysztof

Krzysztof Kazimierczuk

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Jan 11, 2018, 8:50:34 AM1/11/18
to mddnmr


W dniu czwartek, 11 stycznia 2018 14:49:49 UTC+1 użytkownik Krzysztof Kazimierczuk napisał:
Dear All,

Recently, we have been asked how to process 2D spectrum QF dimension. Since it is not too often used, we do not have it in qMDD yet.
However, you can convert scripts set-up by qMDD to process QF mode if you do the following:

1. In fidSP.com modify:

a) set -yMODE to TPPI
b) make -yT equal to -yN
c) remove -di from phasing:
| nmrPipe -fn PS -p0 0 -p1 0                        \

2. Make the nuslist 2x longer than it is by default (till NIMAX 128 in you case).

3. in recFT.com :

a) Add magnitude mode:
| nmrPipe  -fn MC -di               \

b)Optionally, reverse imaginary part:

| nmrPipe  -fn FT  -neg

4. In proc.sh make NUS_POINTS, NIMAX and NI 2x larger than default


Cheers,
Krzysztof
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