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Claudia Beleites
Chemometrische Beratung
Södeler Weg 19
61200 Wölfersheim/Germany
e-mail: chemometrie at beleites dot de

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Excerpts

New Version of hyperSpec on CRAN

A new version of hyperSpec is available on CRAN. This is mostly a maintenance and bugfix version.

Install:

> install.packages ("hyperSpec")

or update:

> update.packages (oldPkgs = "hyperSpec")
... read more ...

Deprecate logbook III

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

Functions logbook and logentry have now been removed. The @logbook slot still exists but cannot be accessed any more by getter and setter functions. It should stay an empty data.frame from now on.

... read more ...

Deprecate logbook II

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

From now on, functions logbook and logentry yield a warning that this functionality is deprecated.

... read more ...

read.jdx.Shimadzu superseeded by read.jdx

read.jdx.Shimadzu is no longer needed read.jdx is now available with more general functionality.

... read more ...

LabRAM ASCII File Import: read.txt.Horiba

Horiba(-Jobin-Yvon) LabRAM .txt files can now be imported directly using read.txt.Horiba.

... 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 ...

Graphical Interaction in Spectrosopic Data Analysis: hyperSpecGUI

... read more ...

hyperSpec: working with spectroscopic data

... read more ...

Chemometric Analysis of Spectroscopic Data in R: hyperSpec

... read more ...