29 lines
1.3 KiB
XML
29 lines
1.3 KiB
XML
<?xml version="1.0" encoding="UTF-8"?>
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<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
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<pkgmetadata>
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<maintainer type="project">
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<email>sci-chemistry@gentoo.org</email>
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<name>Gentoo Chemistry Project</name>
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</maintainer>
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<longdescription>
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Nmrglue has the ability to read, write and convert between a number of NMR file
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formats including Agilent/Varian, Bruker, NMRPipe, Sparky, SIMPSON, Rowland NMR
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Toolkit files. The files, which are represented in Python as dictionaries of
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spectral parameters and NumPy ndarray objects, can be easily examined, modified
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and processed as desired.
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Nmrglue provides a number of functions for processing NMR data such as
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apodization, spectral shifting, Fourier and other transformations, baseline
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smoothing and flattening, and linear prediction modeling and extrapolation.
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In addition new processing schemes can be implemented easily using the nmrglue
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provided functions and the multitude of numerical routines provided by the NumPy
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and SciPy packages.
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When used in conjunction with the matplotlib (or other) python plotting library
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nmrglue can be used to create publication quality figures of NMR spectrum or
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examine data interactively.
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</longdescription>
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<upstream>
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<remote-id type="github">jjhelmus/nmrglue</remote-id>
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</upstream>
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</pkgmetadata>
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