Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79d29e931c934ae6ad8202953c011ba2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 77.517,
"b": 90.130,
"c": 68.943,
"alpha": 90.00,
"beta": 97.85,
"gamma": 90.00
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.880,1.900],
"number_observations": 268519,
"number_observations_unique": 36278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 17634,
"number_observations_unique": 2321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [46.880,9.110],
"number_observations": 1144,
"number_observations_unique": 246,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 34.900
},
{
"type": "Completeness",
"value": 68.300
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
}
]
}