SpectralWorks:查看，操纵，分析（LS拟合，SVD，FT）并制作光谱图-开源
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2021-04-29
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Getting Started with Scanedit
1. Download the program(s)
The quickest way is to get scanlsf.zip (or scanlsf.tgz). Both archives contain the
same thing, which includes executables for windows and linux platforms, sample
data, a tutorial, and some documentation. (If you get the whole package including
source code, the subfolder "demo" can be renamed scanlsf. Its contents are the
same as scanlsf.zip or .tgz)
Unzip or tar –zxf the package, which will create a folder named scanlsf. within
this are three folders (bin, speclib, and demo) as well as pdf documentation
guiding you through the tutorial and introducing some features of the programs.
Within the "bin" folder are executables (three versions for windows, one for linux)
.
2. Run the tutorial in one or more versions of the program. Open one of the .pdf
files and read about the different versions, and choose one for your platform.
Open the pdf describing that version and go through the exercises. Play around
with the sample data to get used to using the program.
3. Get your data into a format recognized by these programs. This is described in
a separate document (spectral_formats.pdf). If your data is collected on an Olis
instrument or on a Shimadzu using the old "UVPC" program, modules are
available to read your data in its native format. Otherwise, if you send some
examples to the developers, they may be able to decipher the format and make a
conversion module. In the worst case, if you can save the data in an ascii format
(text or spreadsheet such as .csv), it can be easily converted to the .mat format
which can be loaded into scanedit.
4. If you want to use this package for fitting experimental spectra to known
standard spectra, you need to obtain those standard spectra. This is simple if
you can obtain the pure compounds. If they cannot be isolated without altering
their spectral properties, the spectra may be extractable from a global fit to a
whole-spectral potentiometric (or pH) titration or kinetics experiment. Programs
for global fitting pH or potentiometric titrations and multi-exponential decay
kinetics will be made available as part of this package.
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