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LiquidDiffract v1.1.8
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@bjheinen bjheinen released this 21 Dec 16:10
v1.1.8
1f6ef8b
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bjheinen Benedict Heinen
GPG key ID: FFA6DAC450EA16EA
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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
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