Contact

Claudia Beleites
Dept. of Spectroscopy · Imaging
Institute of Photonic Technologies
07743 Jena/Germany
e-mail: claudia dot beleites at ipht minus jena dot de
Claudia Beleites
Chemometrische Beratung
Am Eichberg 9
61231 Bad Nauheim/Germany
e-mail: chemometrie at beleites dot de

About hyperSpec

hyperSpec is an R package to handle hyperspectral data, i.e. spectra plus further information such as spatial information, time, concentrations, etc.
Such data are frequently encountered in Raman, IR, NIR, UV/VIS, NMR, mass spectroscopy, AAS / AES, …

hyperSpec acts as an interface for the convenient handling of the spectra, using the powerful chemometric data analysis provided by R and other R packages.

News

Excerpts

Decomposition of Matrices and Bilinear Models

hyperSpec gained two methods, scores and latentvars which re-import result matrices from matrix decomposition or bilinear models into hyperSpec objects.

binary arithmetic operators (+, -, *, /) now working for calculations on spectra matrix plus row or column-vector objects as well, so that many calls to sweep can now be more easily expressed, e.g.

Centering:

> plot (flu - colMeans (flu))

Normalization:

> plot (flu / rowMeans (flu))
... read more ...

Extended binary arithmetic operators

hyperSpec’s binary arithmetic operators (+, -, *, /) now working for calculations on spectra matrix plus row or column-vector objects as well, so that many calls to sweep can now be more easily expressed, e.g.

Centering:

> plot (flu - colMeans (flu))

Normalization:

> plot (flu / rowMeans (flu))
... read more ...

Import Cytospec .mat files: bugfix in `R.matlab` 2.0.4

A recent update from R.matlab version 1.7.0 to 2.0.1 broke the import of Cytospec-saved Matlab files due to different handling of Matlab structs.

Thanks to Henrik Bengtsson for taking immediately care of it, the import seamlessly works again wiht version 2.0.4.

... read more ...

Bugfix spc.rubberband baseline fitting

spc.rubberband was not working correctly for data where the baseline is /above/ (e.g. transmittance, reflectance).

This was corrected. The argument to switch to upper baselines is now upper = TRUE (instead of lower = FALSE as it was before).

... read more ...

Import Multispectra JCAMP-DX files

hyperSpec now imports multispectra JCAMP-DX files.

... read more ...

Spectral smoothing: splines and Savitzky-Golay filters

hyperSpec offers several ways for spectral smoothing:

... read more ...

Shimadzu GS-MS import

Björn Egert sent a new version of read.txt.Shimadzu.

... read more ...

Deprecate logbook

The next step has been taken to deprecate the loogbook (see the explanation in vignette ("introduction")).

From now on, new ("hyperSpec", ...) yields a warning if data for the logbook is handed over, and the file import functions do not create logbook entries by default any more.

... read more ...

Bugfix hyperSpec initialization

hyperSpecs initialization method has been fixed that prevented creation of hyperSpec objects when the spc= argument to new was a data.frame.

... read more ...

Witec ASCII file import

Witec supports two types of ASCII export, which now can both be read by hyperSpec:

ATTENTION: the ASCII import functions have been renamed:

... read more ...

Import Cytospec .mat files

hyperSpec gains a new file import filter reading Matlab files written by Cytospec.

... read more ...