Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e590d5b8dde290bef9a300f57fa6b1a3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.463,
"b": 52.731,
"c": 44.299,
"alpha": 90.00,
"beta": 102.81,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.790,1.650],
"number_observations": 104732,
"number_observations_unique": 30401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 4137,
"number_observations_unique": 1473,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.570
},
{
"type": "R(meas)",
"value": 1.928
},
{
"type": "R(pim)",
"value": 1.101
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.272
}
]
},
{
"resolution_limits": [54.790,9.030],
"number_observations": 772,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}