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Released
since 2016!
The all-new, easy-to-use, top-modern
successor software for Spekwin32
Spectragryph
v1.x
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Short
Description of Spekwin32
- One
of this software's main goals is the consistent display of
spectra coming from different sources. At the moment, about
40 different spectral file types from commercially available spectrometer
systems can be read. By using Copy&Paste via the clipboard,
arbitrary data can also be introduced into Spekwin32 for fast
visualization. Unknown binary files can converted into ASCII data
for a first attempt of reading their content. Spekwin32 is able
to handle UV/VIS, fluorescence, NIR, IR and Raman spectra while
the main focus is on UV/VIS and fluorescence.
- Spekwin32
allows doing many tasks on (series of) spectra that come
across in the laboratory everyday life (baseline correction, spike
removal, normalization, smoothing, averaging, integration, finding
peaks and determining FWHM, showing peak labels, calculation of
concentration via Lambert-Beer, absorption coefficient and oscillatory
strength, create Raman shift spectra ...)
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- As
important features for fluorescence spectroscopy there
are: calculation of degree of polarization, center of gravity,
fluorescence quantum yield; correction of excitation intensity
of fluorescence spectra, calculation of excitation spectra from
two-dimensional fluorescence spectra, removal of Rayleigh and
Raman peaks from EEM data, subtraction of Blank EEM data, displaying
two-dimensional fluorescence spectra (EEM) from series of fluorescence
or excitation spectra. The EEM functions are useful for pretreatment
of data intended for chemometric analysis.
- To
simulate absorption spectra, there is an algorithm that
allows fitting of any group of curves (Gauss type) to present
spectra.
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- For
simple documentation, any number of spectra can be saved
together as proprietary Spekwin32 binary file or as two sorts
of human readable ASCII files (*.dat and *.csv). Spectral data
can also be exported into two commonly accepted spectra file formats:
JCAMP-DX and THERMO Galactic/GRAMS spc files. A batch export function
allows to convert hundreds of spectra from all file formats into
single spectrum *.dx, *-spc and *.csv files. Gemologists will
like the possibility to export Raman spectral data into RRUFF
format. The current plot can be printed, copied to the clipboard
or saved as graphics (WMF, GIF, TIFF, BMP, and PNG). For LaTeX
freaks, Gnuplot parameter files and data files can be created
that allow producing EPS files directly. The current's plot spectral
data can also be copy&pasted via the clipboard.
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Why
this all started & Design Goals
After beginning research doing optical spectroscopy on fluorescent
dyes within a physical chemistry group back in 1999, two aspects turned
out to be really annoying:
Spectral
data was tied to the spectrometer hardware. Usually, the spectrometer
control software was able to do some amount of spectral data processing
and analysis after recording, but there was no means to analyze
the data in a separate place (at home, in your own lab at another
department). Often enough, spectra processing was equivalent to
blocking the spectrometer from data acquisition.
There
was no efficient way to bring spectral data from different sources
together within a spectral processing environment. Most spectrometer
systems allowed to export data in some way. Being ASCII type data,
you could import them into Origin, GraphPad, SigmaPlot or even Excel.
However, while these programs were good at general data analysis,
there were no dedicated spectral processing features. Did you ever
try to bring an absorbance and a fluorescence spectrum into a single
plot, do baseline correction, normalize them to their maxima and
zoom around with the mouse? A task at least cumbersome with Origin
or SigmaPlot and a nightmare in Excel, especially if there were
dozens or hundreds of spectra...
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Well, we couldn't afford the GRAMS package from Galactic Corporation,
and the software from ACDLabs didn't know much about optical spectra
at this time. Therefore I took up working on a spectroscopy software
tool started by a colleague (Dr. Claus Vielsack) two years earlier.
Since
then, I always kept these four goals in mind while developing Spekwin32:
1) Free the data from the spectrometer
2) Bring all sorts of spectra together
3) Visualize/ analyze multiple spectra at once
4) Be useful, or else get out of the user's way
Hopefully,
these goals were matched enough to provide something useful...
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NOTE:
Spekwin32 is retired since 2016 and got replace by the
new Spectragryph software! |