Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd9c2e03fe7a1b14ab2e7e32a2fb59e1",
"space_group_name": "P 1",
"unit_cell": {
"a": 95.437,
"b": 100.535,
"c": 101.866,
"alpha": 91.17,
"beta": 117.96,
"gamma": 108.65
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.010,2.600],
"number_observations_unique": 94668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 39.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
"refln_shells": [
{
"resolution_limits": [2.640,2.600],
"number_observations_unique": 4471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.828
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.344
}
]
},
{
"resolution_limits": [46.630,14.220],
"number_observations_unique": 553,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}