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Nmrglue Tutorial
Nmr Glue

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CiteSeerX - Document Details (Isaac Councill, Lee Giles, Pradeep Teregowda): working with multidimensional NMR data, is described. When used in combination with other Python scientific libraries, nmrglue provides a highly flexible and robust environment for spectral processing, analysis and visuali-zation and includes a number of common utilities such as linear prediction, peak picking. Conda install linux-64 v0.7; osx-64 v0.7; To install this package with conda run one of the following: conda install -c bioconda nmrglue conda install -c bioconda/label/cf201901 nmrglue.

A module for working with NMR data in Python

Project description

What is nmrglue?

nmrglue is a module for working with NMR data in Python. When used with thenumpy, scipy, and matplotlib packages nmrglue provides a robust interpretedenvironment for processing, analyzing, and inspecting NMR data.

Important Links

Landing page: http://www.nmrglue.com
Documentation: http://nmrglue.readthedocs.org/en/latest/index.html
Examples: http://nmrglue.readthedocs.org/en/latest/examples/index.html
Mailing List: https://groups.google.com/forum/#!forum/nmrglue-discuss
Source code: https://github.com/jjhelmus/nmrglue

What can nmrglue do?

nmrglue has the ability to read, write and convert between a number of commonNMR file formats including Varian, Bruker, NMRPipe, and Sparky files. Wow level squish. Tose naina download. Thefiles, which are represented in python as dictionaries of spectral parametersand Numpy array objects, can be easily examined, modified and processed asdesired.

nmrglue provides a number of common functions for processing NMR data such asapodization, spectral shifting, Fourier and other transformations, baselinesmoothing and flattening, and linear prediction. In addition new processingschemes can be implemented easily using the nmrglue provided functions and themultitude of numerical routines provided by the Numpy and Scipy packages.

When used in conjunction with the matplotlib (or other) python plottinglibrary nmrglue can be used to create publication quality figures of NMRspectrum or examine data interactively.

nmrglue can be used to analyze NMR data, with routines to perform peakpicking, multidimensional lineshape fitting (peak fitting), and peakintegration. New analysis methods can be rapidly developed and tested inPython or by integrating Fortran and C/C++ code.

To get started, see our online documentation:http://nmrglue.readthedocs.org/en/latest/index.html

Citing nmrglue

Nmrglue Tutorial

If you find nmrglue useful in your research please cite the package as:

J.J. Helmus, C.P. Jaroniec, Nmrglue: An open source Python package for theanalysis of multidimensional NMR data, J. Biomol. NMR 2013, 55, 355-367,http://dx.doi.org/10.1007/s10858-013-9718-x.

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