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initial version

posted Dec 10 '09 at 00:34

delaglio's gravatar image

delaglio
1361

There are many ways to do this. As described, this data happens already to be in the data order that an NMRPipe hypercomplex FID is stored. So, a simple approach might be to convert the data directly to binary, and add an appropriate NMRPipe header. According to the info above, the data input has four columns (0 1 2 3) with the actual FID intensities in column 3. And the text file should have 1024*256 = 262144 lines. For example, if the input text file is "fid.txt": getCols fid.txt col.txt 3 txt2bin.tcl < col.txt > col.bin bin2pipe -noIn -noOut \ -xN 1024 -yN 256 \ -xT 512 -yT 128 \ -xMODE Complex -yMODE Complex \ -xSW 10000.000 -ySW 10000.000 \ -xOBS 500.000 -yOBS 500.000 \ -xCAR 4.700 -yCAR 4.700 \ -xLAB F2 -yLAB F1 \ -ndim 2 -aq2D States \ -out hdr.dat -verb -ov cat hdr.dat col.bin > test.fid
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corrected formatting

posted Dec 10 '09 at 07:00

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

There are many ways to do this.

As described, this data happens already to be in the data order that an NMRPipe hypercomplex FID is stored. So, a simple approach might be to convert the data directly to binary, and add an appropriate NMRPipe header.

According to the info above, the data input has four columns (0 1 2 3) with the actual FID intensities in column 3. And the text file should have 1024*256 = 262144 lines.

For example, if the input text file is "fid.txt":

getCols fid.txt col.txt 3

3 txt2bin.tcl < col.txt > col.bin

col.bin bin2pipe -noIn -noOut \ -xN 1024 -yN 256 \ -xT 512 -yT 128 \ -xMODE Complex -yMODE Complex \ -xSW 10000.000 -ySW 10000.000 \ -xOBS 500.000 -yOBS 500.000 \ -xCAR 4.700 -yCAR 4.700 \ -xLAB F2 -yLAB F1 \ -ndim 2 -aq2D States \ -out hdr.dat -verb -ov

-ov cat hdr.dat col.bin > test.fid

test.fid

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