Data format¶
FID or ser file¶
For reconstruction, NESTA-NMR requires only the NUS NMR data and the sampling schedule used during data acquisition. The NUS data should be collected so that real and imaginary (complex) pairs are adjacent to each other in the indirect dimension for each NUS point. The data will contain 2N times as many FIDs as NUS points due to the complex pairs. For example, a 4D data set should contain eight FIDs for each NUS point: (R,R,R), (I,R,R), (R,I,R), (I,I,R),(R,R,I), (I,R,I), (R,I,I), (I,I,I) where R and I denote the real and imaginary part of each of the indirect dimensions (t1, t2, t3). As of TopSpin 3.0, this is the default acquisition mode for NUS data.
Sampling schedule¶
The NUS sampling schedule, called a nuslist
by Bruker, is a text
file whose rows correspond to consecutively acquired NUS points. Each
row contains space-delimited integers corresponding to a multiple of the
respective dwell time for each indirect dimension. The first ten lines
of a sampling schedule for a 4D NUS acquisition are as such:
0 0 0
3 0 0
1 0 0
1 1 0
0 0 5
2 0 0
1 0 2
3 0 1
2 1 3
6 0 2