gentoo-overlay/sci-chemistry/nmrglue/metadata.xml

<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
  <herd>sci-chemistry</herd>
  <maintainer>
    <email>jlec@gentoo.org</email>
  </maintainer>
  <longdescription>
Nmrglue has the ability to read, write and convert between a number of NMR file 
formats including Agilent/Varian, Bruker, NMRPipe, Sparky, SIMPSON, Rowland NMR 
Toolkit files. The files, which are represented in Python as dictionaries of 
spectral parameters and NumPy ndarray objects, can be easily examined, modified 
and processed as desired.

Nmrglue provides a number of functions for processing NMR data such as 
apodization, spectral shifting, Fourier and other transformations, baseline 
smoothing and flattening, and linear prediction modeling and extrapolation. 
In addition new processing schemes can be implemented easily using the nmrglue 
provided functions and the multitude of numerical routines provided by the NumPy
and SciPy packages.

When used in conjunction with the matplotlib (or other) python plotting library 
nmrglue can be used to create publication quality figures of NMR spectrum or 
examine data interactively.
</longdescription>
</pkgmetadata>