NUS data can be processed using hmsIST inside TopSpin3, but only if the data was acquired in TopSpin3.
For 2D data, run the AU program xfb_hmsIST. For 3D data, run the AU program xf3d_hmsIST.
It will ask you a few simple questions:
- Perform f2 and f1 transform after reconstruction: y
- Perform abs after f3 transform: y
- Enter chemical shift of water in ppm: 4.7 (or whatever it is)
- Enter distance from water in ppm: default is 0.1 – this is the region around water that you DON’T want it to try to baseline correct. (I usually set it to 0.3)
If the data acquisition halted early (before finishing) – and if the NUS schedule was random:
You can still process with xfb_hmsIST or xf3d_hmsIST.
For example: an hncacb with TD: F3:2048 F2:80 F1:200, NusAMOUNT = 25% (NusPOINTS = 1000).
Say this experiment got stopped after only 340 NusPOINTS were collected. To process this, edit the nuslist. This file has the sampling schedule, and will have 1000 lines in it. Truncate this file so that it only has 340 lines. Also, in eda, set NusAMOUNT/NusPOINTS such that NusPOINTS = 340. Then you can process it normally using xf3d_hmsIST.
