Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "219117986bfbe62f762e827872309627",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.335,
"b": 53.266,
"c": 44.411,
"alpha": 90.00,
"beta": 103.18,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.230,2.320],
"number_observations": 41668,
"number_observations_unique": 11273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "R(meas)",
"value": 0.422
},
{
"type": "R(pim)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
"refln_shells": [
{
"resolution_limits": [2.400,2.320],
"number_observations": 4144,
"number_observations_unique": 1091,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.534
},
{
"type": "R(meas)",
"value": 1.783
},
{
"type": "R(pim)",
"value": 0.897
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.413
}
]
},
{
"resolution_limits": [55.230,8.990],
"number_observations": 807,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}