Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd50379f15e1d74d264a76b1241dc8f5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.766,
"b": 52.716,
"c": 44.650,
"alpha": 90.00,
"beta": 103.06,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.880,1.650],
"number_observations": 108213,
"number_observations_unique": 30767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 4308,
"number_observations_unique": 1490,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.356
},
{
"type": "R(meas)",
"value": 1.643
},
{
"type": "R(pim)",
"value": 0.916
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.313
}
]
},
{
"resolution_limits": [54.880,9.030],
"number_observations": 806,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 25.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}