Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1ef238e58b5e6a3f767736ef9a8e0080",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.03,
"b": 79.65,
"c": 57.16,
"alpha": 90.00,
"beta": 91.81,
"gamma": 90.00
},
"wavelengths": [0.97623],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.470,1.970],
"number_observations": 113627,
"number_observations_unique": 31256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 8768,
"number_observations_unique": 2325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.886
},
{
"type": "R(pim)",
"value": 0.519
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.716
}
]
},
{
"resolution_limits": [34.470,8.810],
"number_observations": 1264,
"number_observations_unique": 362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}