Przejdź do głównej zawartości

Posty

Wyświetlanie postów z styczeń, 2018

RELAXATION in CCPN

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 p

phasing (pseudo) 3D spectrum in TopSpin

1. Open your 3D processed spectrum. 2. Click on "show F2-F3 plane" (button "23" in TopSpin 3.2) xfb 3. Select plane orientation: "23" 4. Select plane number: "1" 5. Enter new PROCNO: can be "231" 6. Interactive phase correction 7. Add 3 points, then "R" - start the phase correction on rows 8. Phase and save. 7. Save for 3D spectrum (second button after "R") 8. Return to 3D spectrum. 9. process: tf3 and tf2 check you F2-F3 plane and enjoy! ;-)