Users Guide - Facultad de Ciencias

16 Getting Startedb) the second action of a sub-sequencec) etc.1.2 TOPSPIN Overview DONEINDEXINDEXFunctionalityTOPSPIN is an integrated software package for:• Displaying NMR spectra• Printing and plotting spectra• Exporting displays and plots in various graphics and metafile formats• Importing NMR data from files of various formats• Archiving spectra in various formats such as JCAMP-DX and ZIP• E-mailing data• Processing 1D-3D fids and spectra: window multiplication, various transforms(Fourier, Hilbert, DOSY), phase correction, baseline correction, integration,peak picking, linear prediction, smoothing, adding spectra etc.• Displaying multiple superimposed spectra (1D and 2D).• Simulating 1D and multi-dimensional fids, given a pulse program and a spinsystem (“virtual spectrometer nmr-sim”)• Calculating T1/T2 relaxation times• Fitting peaks with Lorentzian and Gaussian line shape models, deconvolveoverlapping peaks• Multiplet analysis• Automatic 1D, 2D and 3D peak picking• Automatic 1D, 2D and 3D integration• Line shape analysis of solids spectra• Data acquisition with Bruker Avance type spectrometers• Supporting automated and walk-up spectrometers (ICON-NMR)• Remote spectrometer control including web-enabled ICON-NMR• Adding user defined functionalities to TOPSPIN (AU programs, Macros andPython programs)