The nmrPipeFit component of FuDA (Function and Data Analysis) program is designed to analyse nD (n>1) NMR correlation spectra.
So far, the program is designed for arrayed 2D spectra, such as relaxation experiments and diffusion
experiments, and simple 2D and 3D spectra.
In the case of an arrayed 2D spectrum, the idea is that each correlation will have the same
line shape in all the 2D spectra, so that only the intensity is changing. Line shapes
are described by a mixture of a Lorenztian and a Gaussian in each of the dimensions. Moreover, the
other idea behind the program is that most of the correlations have similar line shapes, which means that the starting
parameters for the least-squares fit in general can be assumed the same for all correlations. However,
the program allow for defining specific starting parameters for the least-squares fit, e.g., if
a particular correlation is very broad and needs special care, etc.
A manual of the program is not available yet, however, it is my hope that the examples provided
will allow people to use the program. Also please find information about installation, the input file, and the output files below.
The input file
The output files
Basis Unix and NMR programs, such as gnuplot and nmrPipe are required (a more detailed list of
specific requirements will be compiled later).
The archive files for download, which include binary code, main sctipt files, examples etc.
Compiled on Mac OS X (10.5.4); Intel Core 2: fuda_osx_10.5.4_i386.tar.gz(100MB)
Updated on Jul 28 2008
Compiled on Linux Fedora Core 10, 64bit Intel core2 fuda_linux_FC10_64bit.tar.gz(99MB)
This version also includes 32bit FC9 libraries.
Updated on Feb 13 2009
Old versions that are no longer supported
Compiled on Mac OS X (10.3.9); G4 PPC: fuda_osx_10.3.9.tar.gz(97MB)
Compiled on Linux Red Hat 9; Pentium 4: fuda_linux_rh9.tar.gz(96MB)
Compiled on Linux Fedora Core 8, 64bit Intel core2 fuda_linux_FC8_64bit.tar.gz(99MB)