diff options
Diffstat (limited to 'sci-chemistry/nmrglue/metadata.xml')
1 files changed, 29 insertions, 0 deletions
diff --git a/sci-chemistry/nmrglue/metadata.xml b/sci-chemistry/nmrglue/metadata.xml
new file mode 100644
index 00000000000..d1c1fa8f056
--- /dev/null
+++ b/sci-chemistry/nmrglue/metadata.xml
@@ -0,0 +1,29 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<!DOCTYPE pkgmetadata SYSTEM "">
+ <herd>sci-chemistry</herd>
+ <maintainer>
+ <email></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.
+ <upstream>
+ <remote-id type="github">jjhelmus/nmrglue</remote-id>
+ </upstream>