The best ideas come from our users. In the past
year, they have asked for the ability to use full spectra as part of peak
fitting. They have also requested better tools to extract peaks from their
data, better tools to set up peaks for peak fitting, and a "print"
button, to make a copy of the screen for their records.
RazorTools/8 is an updated version of the well
respected Razor add-on applications for GRAMS/32. It contains all the
Maximum Likelihood, Maximum Entropy and Bayesian methods for smoothing,
deconvolution, derivatives and baseline removal of the preceding version,
RazorTools/5. In addition, it contains all the user requested enhancements
listed above. And with the new MakePk function, users may smooth and remove
baselines from data peaks before saving them.
CRV lets users zoom in on difficult sections
of their data while modifying a peak fitting model. It gives users the
ability to link peaks by specifying amplitude ratios, width ratios, or
relative positions that must be maintained during the fit. And as always, it
works with all *.crv parameter files, even those created by GRAMS/32 peak
RazorTools/8 most unusual enhancement came
from a request by a university researcher. "I bought Razor for
Grams/386 several years ago. At that time, it had the capability of using
only a single data peak in the curve fit routine and you were working on
expanding that capability to use multiple data peaks. Were you ever able to
achieve that? I could sure use it if you have." This researcher needed
to be able to model spectra as a sum of several data bands, plus a baseline
and an additional peak. Here was a challenge that meant digging deep into
Razor source code to enhance the basic capabilities of the fitting
mechanism. A challenge we couldn't refuse!
The result was the addition of "Spectral
Factors" to RazorTools FIT. FIT has always had the capability to take
in peaks of various shapes, including a user-defined "data peak"
shape, as part of the user's model. Now the user may include whole spectral
files as part of the model. FIT will find the section of the "Spectral
Factor File" that overlaps the frequencies or wavelengths of the data
file being fit. It will add that section of the Spectral Factor File into
What is the difference between a Spectral
Factor File and an ordinary peak or baseline in a FIT model? Peaks, with the
exception of data peaks, are shapes that can be described by a few
parameters such as width, amplitude and position. FIT adjusts the parameters
to obtain a best fit to the data. Spectral Factor files may contain
complicated peaks, or bands, or even complete spectral FIT will only adjust
the amplitude of a Spectral Factor file during the fitting process; it will
not adjust the frequencies or wavelengths of the peaks or bands present in
the Factor file.
When simple peak shapes are not adequate for
fitting your data, when you need to use measured spectra as a components of
the fit, how does it all work? Start with a data model that contains one or
more peaks, and perhaps a baseline. Save that model as a *.crv file. (RazorTools
applications PIC and BAS automatically create *.crv files; GRAMS peak
fitting application provides an option for saving a *.crv parameter file.)
Then run the CRV application to specify up to 10 Spectral Factor files to use as
components (factors) in fitting your sample spectrum. CRV will write out a
new *.crv parameter file that contains all the spectral factor information
needed by FIT.
RazorTools/8 does not include a printed
manual, as the complete manual is now on-line and accessible through the
help buttons. The cost saving has been passed directly to users.