Mnova处理二维谱.pdfVIP

2D NMR Spectrum Processing with Mnova Hongjun Zhou Dept of Chem Biochem UC Santa Barbara hzhou@chem.ucsb.edu April 19, 2012 General NMR Data Processing NMR data processing is typically done in the following order in all processing programs: • Read in raw FID • Select and apply apodization (also called window or weighting) function • Zero fill (ZF) the FID, usually at least doubling the original data size • Fourier transform (FT) • Phase spectrum • Baseline correction Some of these are done automatically by Mnova when data are read in. NOTE: • Phasing means, in most cases, to adjust the spectrum so that peaks across the spectrum are in-phase (absorptive mode) where all peaks point up (or down) with the peak bases look even on both sides. • Zero-order phase (PH0) is a constant phase across the spectrum and is applied first. Next, st set a pivot point for 1 -order phase (PH1) adjustment. The pivot should be ideally set to a strong peak at either end of the spectrum. Then, adjust 1st-order phase which linearly changes across the spectrum from the “pivot” point. Watch the peaks at the other end of the spectrum away from the pivot while adjusting 1st-order phase. • Baseline correction should be applied AFTER phasing. If a small phase adjustment is still needed after baseline correction, adjust the phases after baseline correction. 2D NMR Spectrum Processing with Mnova The two dimensions in a 2D spectrum is specified as t2 or f2 (horizontal) and t1 or f1 (vertical) dimensions, respectively. t1 and t2 refer to time-domain data; f1 and f2 refer to frequency domain data after FT of t1 and t2 dimensions. The processing command below is often applied to f2 and f1 (or t2 and t1) separately. Sel