Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "259aff413c579d350626fa2b44596d93",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.875,
"b": 53.127,
"c": 44.387,
"alpha": 90.00,
"beta": 103.04,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.990,1.620],
"number_observations": 112040,
"number_observations_unique": 32593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.620],
"number_observations": 4570,
"number_observations_unique": 1618,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.299
},
{
"type": "R(meas)",
"value": 1.606
},
{
"type": "R(pim)",
"value": 0.928
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.308
}
]
},
{
"resolution_limits": [54.990,8.870],
"number_observations": 820,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}