Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53681a5a8cc206c388b77df65ef21047",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 337.122,
"b": 192.859,
"c": 235.688,
"alpha": 90.00,
"beta": 91.46,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [235.611,3.634],
"number_observations_unique": 143100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "R(meas)",
"value": 0.576
},
{
"type": "R(pim)",
"value": 0.310
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.880
}
]
},
"refln_shells": [
{
"resolution_limits": [4.050,3.850],
"number_observations_unique": 20878,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.539
},
{
"type": "R(meas)",
"value": 3.013
},
{
"type": "R(pim)",
"value": 1.608
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.375
}
]
},
{
"resolution_limits": [235.610,12.160],
"number_observations_unique": 4659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.302
},
{
"type": "R(pim)",
"value": 0.163
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
}
]
}