ScaleAndMerge: Change bounds for R
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@@ -352,7 +352,8 @@ namespace {
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if (opt.partiality_model == ScaleMergeOptions::PartialityModel::Still) {
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for (int i = 0; i < mosaicity.size(); ++i) {
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if (image_slot_used[i]) {
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problem.SetParameterLowerBound(&mosaicity[i], 0, 1e-6);
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problem.SetParameterLowerBound(&mosaicity[i], 0, 1e-9);
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problem.SetParameterUpperBound(&mosaicity[i], 0, 1.0);
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}
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}
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}
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@@ -589,7 +590,6 @@ namespace {
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void calc_obs(const ScaleMergeOptions &opt,
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std::vector<double> &g,
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std::vector<double> &mosaicity,
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bool rotation_crystallography,
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const std::vector<ObsRef> &obs,
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std::vector<CorrectedObs> &corr_obs) {
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@@ -775,7 +775,7 @@ ScaleMergeResult ScaleAndMergeReflectionsCeres(const std::vector<std::vector<Ref
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}
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}
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calc_obs(opt, g, mosaicity, rotation_crystallography, obs, corr_obs);
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calc_obs(opt, g, mosaicity, obs, corr_obs);
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merge(nhkl, out, corr_obs);
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stats(opt, nhkl, out, corr_obs);
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