Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a65890f21fc02012e10b8f9205743f0d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.81,
"b": 80.37,
"c": 56.06,
"alpha": 90.00,
"beta": 112.79,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.250,1.970],
"number_observations": 99442,
"number_observations_unique": 30103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 7056,
"number_observations_unique": 2249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.731
},
{
"type": "R(pim)",
"value": 0.468
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.601
}
]
},
{
"resolution_limits": [45.250,8.810],
"number_observations": 1218,
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}