Age | Commit message (Collapse) | Author |
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for the quick check, but not necessarily good
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a number of crystals
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Add F centering
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since asdf always finds primitive cell
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best solution if they're all too rubbish to hit the threshold - not tested
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decent peak list...
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list, not a single match, in preparation for being more thorough searching
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The "improved" version of this, added by 9b1374999 along with the new
spot position calculation for out-of-plane panels, actually assumes that
the reflection is at the exact Bragg condition. This is not a valid
assumption here. The difference is small (<0.5 px), but made the
prediction refinement gradients completely wrong.
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the theta angle is the minimum or maximum angle or whether to add Pi.
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