This is how we do it in our lab. We then calculate T2.
First, update your CCPNMR if you are using new TopSpin. Bruker changed their format in TopSpin 3.5 and there is an update which fixes the problem that that caused. If you have any errors in ccpn do not hesitate to send it with your email address, Wayne is kindly responding for that.
Open your pseudo 3D spectra. For T1 point values use vd list (seconds), for T1 rho vp list (in microseconds), for hetNOE 0,1. Somehow I had order problem before update: values for T1 started at second value and finished at first in ccpn order. So instead of 0.05, 1.2, 6, ..., 0.5, 1.8 I put: 1.2, 6, ..., 0.5, 1.8, 0.05. But after updated ccpn it was in right order.
Molecule - Add Sequence
Experiments - NMR series - add series
Other - Format conventer - import - single files - peaks - sparky
The right format should look like that:
Assignment w1 w2
Q1N-HN 121.92 8.22
G2N-HN 102.15 5.58
Peak - peak list - copy peaks to all pseudo 3D experiments (tip: if a lot of peaks are shifted you can shift all spectrum or add sister list, copy peaks to only one plane, fix peak picking and then copy fixed to all planes in the first experiment, it will be faster with another planes then)
Check peak picking and fix it. (selecting and snapping groups makes it easier)
Then Data Analysis - Follow Intensity Changes - Rate type T1 or T1rho, Group and Fit Peaks, you can check fitting in fit graphs.
Then you can export T1(rho) list from ccpn or alternatively you can use data from ccpn (make a table with F1, F2, sampled delay time, assign, height, volume and line width from peak list) for script calculations.
First, update your CCPNMR if you are using new TopSpin. Bruker changed their format in TopSpin 3.5 and there is an update which fixes the problem that that caused. If you have any errors in ccpn do not hesitate to send it with your email address, Wayne is kindly responding for that.
Open your pseudo 3D spectra. For T1 point values use vd list (seconds), for T1 rho vp list (in microseconds), for hetNOE 0,1. Somehow I had order problem before update: values for T1 started at second value and finished at first in ccpn order. So instead of 0.05, 1.2, 6, ..., 0.5, 1.8 I put: 1.2, 6, ..., 0.5, 1.8, 0.05. But after updated ccpn it was in right order.
Molecule - Add Sequence
Experiments - NMR series - add series
Other - Format conventer - import - single files - peaks - sparky
The right format should look like that:
Assignment w1 w2
Q1N-HN 121.92 8.22
G2N-HN 102.15 5.58
Peak - peak list - copy peaks to all pseudo 3D experiments (tip: if a lot of peaks are shifted you can shift all spectrum or add sister list, copy peaks to only one plane, fix peak picking and then copy fixed to all planes in the first experiment, it will be faster with another planes then)
Check peak picking and fix it. (selecting and snapping groups makes it easier)
Then Data Analysis - Follow Intensity Changes - Rate type T1 or T1rho, Group and Fit Peaks, you can check fitting in fit graphs.
Then you can export T1(rho) list from ccpn or alternatively you can use data from ccpn (make a table with F1, F2, sampled delay time, assign, height, volume and line width from peak list) for script calculations.
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