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version 0.2.3 (positive)

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@l-ramirez-lopez l-ramirez-lopez released this 18 Feb 17:02

This version of prospectris now available on CRAN

New features

  • The kenStone function now includes a new feature that allows to initialize the
    calibration sample search with a user-defined subset of observations (which are
    to be included in the final calibration subset). Thanks to Thorsten Behrens and
    Philipp Baumann for suggesting this feature.

  • The gap-segment derivatives (gapDer) function now allows for high order
    derivatives. In previous versions the function only allowed up to derivatives of
    4th order, in this version the the function accepts as derivative order
    any integer larger than 1.

Improvements and fixes

  • binning() a bug in the creation of the binning groups has been fixed. This bug
    is in fact inherited from a problem in the findInterval() function. The breaks
    (given in the vec arument) might get corrupted when they contain many decimal
    places. These breaks (in vec) are used to define the final bins. The problem in
    the binning function was that when a frequency
    variable (e.g. wavelength) was exactly on the left of the bin
    range the variable was assigned to the next bin. In some cases this lead to
    small discrepancies in the in the computation of the mean of the bins.

  • spliceCorrection() now accepts one or two values as input for the splice
    argument. Previously it only accepted a vector of length two. For example, now it
    corrrects for splice steps of spectra that originates from spectrometers
    with two detectors (i.e. it corrects for the potential abrupt transition
    betwteen the two detectors).

  • An extra sanity check has been added to the read_nircal() function. The
    function evaluaes whether it is indeed a file properly produced by the BUCHI
    nircal software.

  • There was a bug in the filter for the 3rd order derivative in gap segment
    derivative (gapDer) function. One of the factors in the filter had a wrong
    negative sign.

  • There was a bug in the read_nircal function. It emerged only in some files and
    prevented the function from reading the Description field properly

Changes

  • In the msc() function the argument reference_spc has been renamed to
    ref_spectrum to emphasize that its input must be is a vector and not a
    matrix of spectra.