CONNJUR Workflow Builder (WB) is an open-source software integration environment that leverages existing spectral reconstruction tools to create a synergistic, coherent platform for converting biomolecular NMR data from the time domain to the frequency domain. WB provides data integration of primary data and metadata using a relational database, and includes a library of pre-built workflows for processing time domain data. WB simplifies maximum entropy reconstruction, facilitating the processing of non-uniformly sampled time domain data. As will be shown in the paper, the unique features of WB provide it with novel abilities to enhance the quality, accuracy, and fidelity of the spectral reconstruction process. WB also provides features which promote collaboration, education, parameterization, and non-uniform data sets along with processing integrated with the Rowland NMR Toolkit (RNMRTK) and NMRPipe software packages. WB is available free of charge in perpetuity, dual-licensed under the MIT and GPL open source licenses.
[NMR paper] Bayesian reconstruction of projection reconstruction NMR (PR-NMR).
Bayesian reconstruction of projection reconstruction NMR (PR-NMR).
Related Articles Bayesian reconstruction of projection reconstruction NMR (PR-NMR).
Comput Biol Med. 2014 Aug 24;54C:89-99
Authors: Yoon JW
Abstract
Projection reconstruction nuclear magnetic resonance (PR-NMR) is a technique for generating multidimensional NMR spectra. A small number of projections from lower-dimensional NMR spectra are used to reconstruct the multidimensional NMR spectra. In our previous work , it was shown that multidimensional NMR spectra are...
[Question from NMRWiki Q&A forum] integration 2d noesy
integration 2d noesy
I will appreciate if somebody write me how to integrate 2D NOESY spectrum in TopSpin 2.1 or 2.5!Step by step, please! I used to do it on XWIN-NMR 3.5, but in TopSpin it is different!Thank you from Marijana
Check if somebody has answered this question on NMRWiki QA forum
nmrlearner
News from other NMR forums
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02-19-2014 12:07 AM
2. NMR spectroscopy - Integration
2. NMR spectroscopy - Integration
http://i.ytimg.com/vi/ZrVv7VaRjYs/default.jpg
2. NMR spectroscopy - Integration
Visit www.chemistry.jamesmungall.co.uk for notes on this topic. Thanks for watching! This video explains how integration tells you the number of hydrogen atoms each peak corresponds to. Discussion of how this can be useful in determining structure. Part of a set of videos giving an introductory course on proton NMR, aimed at around A-level or International Baccalaureate standard. Includes dicussion of integration, chemical shift and coupling.
From:jamesmungall
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nmrlearner
NMR educational videos
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07-12-2011 08:26 PM
CONNJUR spectrum translator: an open source application for reformatting NMR spectral data
CONNJUR spectrum translator: an open source application for reformatting NMR spectral data
Abstract NMR spectroscopists are hindered by the lack of standardization for spectral data among the file formats for various NMR data processing tools. This lack of standardization is cumbersome as researchers must perform their own file conversion in order to switch between processing tools and also restricts the combination of tools employed if no conversion option is available. The CONNJUR Spectrum Translator introduces a new, extensible architecture for spectrum translation and introduces two...
nmrlearner
Journal club
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03-18-2011 06:51 PM
CONNJUR - open source integration environment for biomolecular NMR data analysis
CONNJUR Project website
The CONNJUR Project is developing an open source integration environment for biomolecular NMR data analysis. CONNJUR software is a workflow generator, based on legacy NMR analysis applications, that is being developed as Open Source Software -- it is perpetually free for anyone to use, modify and distribute.
CONNJUR is developed by a community of NMR spectroscopists and scientific programmers who aim to create and maintain NMR analysis tools bounded by the goals of excellent end-product, free of charge, open source software using the...
markber
NMR software
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11-01-2010 07:45 PM
Automatic maximum entropy spectral reconstruction in NMR
Automatic maximum entropy spectral reconstruction in NMR
Mehdi Mobli, Mark W. Maciejewski, Michael R. Gryk and Jeffrey C. Hoch
Journal of Biomolecular NMR; 2007; 39(2) pp 133 - 139
Abstract:
Developments in superconducting magnets, cryogenic probes, isotope labeling strategies, and sophisticated pulse sequences together have enabled the application, in principle, of high-resolution NMR spectroscopy to biomolecular systems approaching 1 megadalton. In practice, however, conventional approaches to NMR that utilize the fast Fourier transform, which require data collected at uniform time...
CONNJUR Workflow Builder: a software integration environment for spectral reconstruction
Linear Mode
