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spectrum alignment and quantitation speaq

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Allows Nuclear Magnetic Resonance (NMR) spectroscopy data analysis. Speaq enables raw spectra alignment and quantitation but also an analysis based on features whereby the spectra are converted to peaks which are then grouped and turned into features. The underlying core paradigm is to efficiently summarize spectra with little user interaction, high speed and most importantly little loss of information whilst greatly reducing the dimensions of the data. The package can be combined with existing tools to improve performance.

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speaq classification

speaq specifications

Software type:
Package/Module
Restrictions to use:
None
Programming languages:
R
Computer skills:
Advanced
Stability:
Stable
Maintained:
Yes
Interface:
Command line interface
Operating system:
Unix/Linux, Mac OS, Windows
License:
Apache License version 2.0
Version:
2.0.0
Source code URL:
https://cran.r-project.org/src/contrib/speaq_2.0.0.tar.gz

speaq distribution

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No versioning.

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speaq support

Documentation

Maintainers

  • Trung Nghia Vu <>
  • Charlie Beirnaert <>

Additional information

https://github.com/nghiavtr/speaq

Credits

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Publications

Institution(s)

Advanced Database Research and Modelling (ADReM), Department of Mathematics and Computer Science, University of Antwerp, Antwerp, Belgium; Biomedical Informatics Research Center Antwerp (biomina), University of Antwerp/Antwerp University Hospital, Edegem, Belgium; Department of Medical Epidemiology and Biostatistics, Karolinska Institutet, Stockholm, Sweden; Natural Products & Food Research and Analysis (NatuRA), Department of Pharmaceutical Sciences, University of Antwerp, Wilrijk, Belgium; Toxicological Center, Department of Pharmaceutical Sciences, University of Antwerp, Wilrijk, Belgium

Funding source(s)

Supported by a GOA (Geconcentreerde Onderzoeksactie) from the University 377 of Antwerp.

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