Does anyone know how, or have a resource that can assist me in processing data collected from this experiment? Thanks.
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initial version
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posted Mar 03 '10 at 07:10 Elio Cino |
Does anyone know how, or have a resource that can assist me in processing data collected from this experiment? Thanks.
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No.1 Revision
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posted Mar 03 '10 at 09:47 Evgeny Fadeev |
Does anyone know how, or have a resource that can assist me in processing data collected from this experiment? Thanks.
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No.2 Revision
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posted Mar 03 '10 at 14:01 Evgeny Fadeev |
Does anyone know how, or have a resource that can assist me in processing data collected from this experiment? Thanks.
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No.3 Revision
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posted Mar 04 '10 at 05:29 Elio Cino |
Does anyone know how, or have a resource that can assist me in processing data collected from this experiment? Thanks.
I managed to get a single spectra using a new processing script from the nmrpipe manual:
nmrPipe -in test.fid \ | nmrPipe -fn POLY -time \ | nmrPipe -fn SP -off 0.5 -end 0.95 -pow 1 -c 1 \ | nmrPipe -fn ZF -auto \ | nmrPipe -fn FT -auto \ | nmrPipe -fn PS -p0 -12.4 -p1 0.0 -di -verb \ | nmrPipe -fn EXT -left -sw \ | nmrPipe -fn TP \ | nmrPipe -fn COADD -cList 0 1 -time \ | nmrPipe -fn SP -off 0.5 -end 0.95 -pow 1 -c 1 \ | nmrPipe -fn ZF -auto \ | nmrPipe -fn FT -auto \ | nmrPipe -fn PS -p0 0.0 -p1 0.0 -di -verb \ -ov -out B.ft2
The spectra looks ok, but the peak intensities seems weaker than they should be. Anyways, next I have to figure out how to get rdc values of of this data...more reading I guess haha.
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No.4 Revision
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posted Mar 04 '10 at 07:28 Evgeny Fadeev |
Does anyone know how, or have a resource that can assist me in processing data collected from this experiment? Thanks.
edit: I managed to get a single spectra using a new processing script from the nmrpipe manual:
nmrPipe -in test.fid \
| nmrPipe -fn POLY -time \
| nmrPipe -fn SP -off 0.5 -end 0.95 -pow 1 -c 1 \
| nmrPipe -fn ZF -auto \
| nmrPipe -fn FT -auto \
| nmrPipe -fn PS -p0 -12.4 -p1 0.0 -di -verb \
| nmrPipe -fn EXT -left -sw \
| nmrPipe -fn TP \
| nmrPipe -fn COADD -cList 0 1 -time \
| nmrPipe -fn SP -off 0.5 -end 0.95 -pow 1 -c 1 \
| nmrPipe -fn ZF -auto \
| nmrPipe -fn FT -auto \
| nmrPipe -fn PS -p0 0.0 -p1 0.0 -di -verb \
-ov -out The spectra looks ok, but the peak intensities seems weaker than they should be. Anyways, next I have to figure out how to get rdc values of of this data...more reading I guess haha.