an NMR processing program.
NPK stands for NMR
What is NPK
- The modeling level :
The high level processing library and utilities :
the main user interface
all the parameters for processing 1D experiments
all the parameters for processing 2D experiments
all the parameters for processing 3D experiments
all the parameters for processing DOSY experiments
The low level processing library :
most of the needed NMR functions
contains function specific to DOSY processing
a set of utilities to handle and import files from Bruker spectrometers
a set of utilities to handle and import files from Varian spectrometers
a set of utilities to Pick Peak and fit peaks (not finished)
Complete gamma table for all NMR active spins.
It implements the method described in
HARRIS et al NMR NOMENCLATURE.NUCLEAR SPIN PROPERTIES AND CONVENTIONS FOR CHEMICAL SHIFTS (IUPAC Recommendations 2001)"
Pure Appl.Chem., 73-11, pp.1795-1818, (2001)
Based on Chi values, frequencies and chemical shifts can be computed for any magnetic field.
A utility which allow to launch DOSY processes in batch on a remote cluster or on a multiproc desktop,
allowing important speed increases.
- is presented here
Note that this documentation is still incomplete and in beta state.
NPK is an NMR processing program developped by Marc A. Delsuc Vincent Catherinot, Dominique Tramesel, and others.