Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "95c0ae8250089d4867ca3dd38c4c25b8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.694,
"b": 67.302,
"c": 72.749,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.060],
"number_observations": 113668,
"number_observations_unique": 11130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.130,2.060],
"number_observations_unique": 995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.591
},
{
"type": "R(meas)",
"value": 0.669
},
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.137
}
]
},
{
"resolution_limits": [2.220,2.130],
"number_observations_unique": 1060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [2.320,2.220],
"number_observations_unique": 1108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.356
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [2.440,2.320],
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "R(meas)",
"value": 0.323
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [2.590,2.440],
"number_observations_unique": 1105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.283
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [2.790,2.590],
"number_observations_unique": 1110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [3.070,2.790],
"number_observations_unique": 1118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.520,3.070],
"number_observations_unique": 1155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.420,3.520],
"number_observations_unique": 1150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [20.000,4.420],
"number_observations_unique": 1234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}