OpenSpectralWorks Project

Chicken bc1
              difference spectra Chick bc1 spectra

Download Tutorials.zip Latest Version ScreenShots User's Manual


OpenSpectralWorks - "a suite of Programs for viewing, editing, and manipulating spectral data"
OpenSpectralWorks is a suite of programs for viewing and manipulating digitized spectroscopic data, i.e. data consisting of an optical measurement such as light absorbance as a function of wavelength or energy of the light (or other radiation) involved. ScanEdit runs natively under Windows 98 through 11, and under the WINE API on linux and (presumably) Macintosh. The program is free for all and its use is governed by the most liberal Gnu GPL License. Source code is available in each  full release, and by request from the author at times between.

Latest News:
 2026-07-12: ScanEdit has a user manual!  Kind of rough still,  but pretty complete. Ideally the program is sufficiently intuitive that you can use most of its capabilities without consulting a manual. But if you don't know what function to use for the job at hand, or where to find it, it can be useful to have a well-organized list of the capabilities and instructions for their use.
    Even if you are not currently interested in using the program, you might be interested to see one spectroscopist's idea of what a UV-vis spectral editor should entail. Get the manual and see if this looks like something you could use. If you feed it to your favorite AI, you may be able to generate your own version of ScanEdit!  And of course we would be happy to receive suggestions for new features.

2026-07-12;    A new update ("nightly build") of the program to coincide with the user manual. The program has advanced greatly since the last release in 2018, and many of the functions described in the manual did not exist in that version.  New users should still get "Tutorials.zip" from the 1.0 release, for installing the program. Then replace the executable with the latest nightly build

2025-12-16  Modified the Fourier routines to use Discrete Cosine Transform DCT-II and DCT-III. Had been using DCT-I which defines the half-period to be from 0 at the first point to π at the last point. The new routines take 0 as half-interval before the first data point in the spectrum and π as a half-interval after the last point. This means no points are on "special positions" and the discontinuities are safely positioned half-way between data points. The first and last points (and all points) will be reproduced exactly of you use all terms to reconstruct the spectrum from its transform.

2025-10-18 Added "Color Pickers" to redefine the palettes of 16 colors used to plot- on screen, and for postscript files. The modified pallets can be saved (in the user's %appdata%) to be the default on the next run.


Two problems are of special interest to the initiating author:
1. Linear LS fitting of experimental spectra to linear combinations of known basis spectra to determine the composition of a mixture (and its changes with time).
2. Global fitting of multi-wavelength, multi-spectral data ("3D data") to thermodynamic or kinetic models to determine the parameters involved and the spectra of the different model components.. Examples are potentiometric or pH titrations data, and multi-exponential kinetics fitting.


Latest release 1.0
Getting Started GettingStarted.pdf. Includes instructions to download and install.
Tutorials/demos: Fitting cytochrome difference spectra, fitting chlorophyll spectra, setting up standard basis spectra for fitting. demo1.pdf, demo2.pdf, demo3.pdf
Discussion board
Windows executable latest version ScanEdit.zip
User package with executable, sample data, and tutorials tutorials.zip
Developer package with everything including source code scanedit-1.0.zip

project description submitted to SF at initiation of the project.
Digitized Spectra as vectors in n-dimensional space, where n is the number of sampling points.
Theory: Linear analysis of absorption spectra: from Warburg&Christian to Singular Value Decomposition.
Demo version of linear LSQ analysis using MS-QuickBasic compiled programs.
Application- Fitting the difference spectra of the cytochromes of mitochondrial RespiratoryComplex III.
About the name- OpenSpectralWorks

Maintainer contact information:
Edward A. Berry
eaberry at users.sourceforge.net
eaberry1 at pacbell.netgmail.com