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v1.0.0-rc.81

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leonarski_f
2025-09-21 19:27:51 +02:00
parent 3ded4cd3ce
commit 5d9d2de4a4
243 changed files with 3401 additions and 935 deletions
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19
common/DiffractionSpot.cpp
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@@ -67,7 +67,6 @@ void DiffractionSpot::ConvertToImageCoordinates(const DiffractionExperiment &exp
SpotToSave DiffractionSpot::Export(const DiffractionGeometry &geometry) const {
auto d = geometry.PxlToRes(x / (float)photons, y / (float)photons);
bool ice_ring = IsIceRing(d);
return {
.x = x / static_cast<float>(photons),
@@ -75,23 +74,7 @@ SpotToSave DiffractionSpot::Export(const DiffractionGeometry &geometry) const {
.intensity = static_cast<float>(photons),
.maxc = max_photons,
.d_A = d,
.ice_ring = ice_ring,
.ice_ring = false,
.indexed = false,
};
}
bool DiffractionSpot::IsIceRing(float d_A) {
// Ice ring resolution taken from:
// Moreau, Atakisi, Thorne, Acta Cryst D77, 2021, 540,554
// https://journals.iucr.org/d/issues/2021/04/00/tz5104/index.html
double tol = 0.05;
if (fabs(d_A - 3.895) < tol
|| fabs(d_A - 3.661) < tol
|| fabs(d_A - 3.438) < tol
|| fabs(d_A - 2.667) < tol
|| fabs(d_A - 2.249) < tol
|| fabs(d_A - 2.068) < tol) {
return true;
}
return false;
}