LiquidDiffract v1.1.8
Major Changes
- Gaussian fitting toolbox
The calculation of the x-ray weighting factors for partial pair correlations used by the curve-fitting toolbox has been altered slightly. The default behaviour is now to calculate the WKM approximation for the effective atomic number of each species, K_p, at Q=0. The previous behaviour of calculating the average K_p across the whole Q-range of the data is still available by selecting the option in the Additional Preferences dialog. However, this option may lead to unphysical results for some sample if the Q-range is >~10, as the x-ray weights are affected by the Q-range.
Minor Changes
- Fixed a bug in the gaussian fitting toolbox where the plot view reset when the first peak was added