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jfjoch_write: Add rotation indexing lattice information to the HDF5 file

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leonarski_f
2025-12-01 13:52:05 +01:00
parent b4d2c3ccc6
commit 11188e20c6
6 changed files with 30 additions and 6 deletions
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5
writer/HDF5DataFilePluginMX.cpp
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@@ -119,7 +119,7 @@ void HDF5DataFilePluginMX::Write(const DataMessage &msg, uint64_t image_number)
spot_h[max_spots * image_number + i] = msg.spots[i].h;
spot_k[max_spots * image_number + i] = msg.spots[i].k;
spot_l[max_spots * image_number + i] = msg.spots[i].l;
spot_dist_ewald[max_spots * image_number + i] = msg.spots[i].dist_ewald_sphere;
spot_dist_ewald[max_spots * image_number + i] = msg.spots[i].dist_ewald_sphere;
}
spot_ice_ring[max_spots * image_number + i] = msg.spots[i].ice_ring;
}
@@ -195,7 +195,8 @@ void HDF5DataFilePluginMX::WriteFinal(HDF5File &data_file) {
if (!indexed.empty())
data_file.SaveVector("/entry/MX/imageIndexed", indexed.vec());
if (!indexed_lattice.empty())
data_file.SaveVector("/entry/MX/latticeIndexed", indexed_lattice, {(hsize_t) (max_image_number + 1), 9});
data_file.SaveVector("/entry/MX/latticeIndexed", indexed_lattice, {(hsize_t) (max_image_number + 1), 9})
->Units("Angstrom");
if (!bkg_estimate.empty())
data_file.SaveVector("/entry/MX/bkgEstimate", bkg_estimate.vec());
if (!profile_radius.empty())