Package chooch-5.0.2-4

One of the most successful methods of structure determination over the last 15 years has been the MAD (multiple wavelength anomalous diffraction) method. A key step in MAD experiments is the determination of the absorption edge structure in order to allow the correct selection of appropriate X-ray energies for data collection. The program CHOOCH determines values of anomalous scattering factors from raw fluorescence spectra and pinpoints the position of the f'' maximum and the f' minumum values.