Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "65adf7dbb4b239a9102c9926283b6714",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 75.816,
"b": 121.060,
"c": 147.628,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.05],
"number_observations": 1088798,
"number_observations_unique": 85130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.12,2.05],
"number_observations_unique": 8374,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.387
},
{
"type": "R(meas)",
"value": 1.459
},
{
"type": "R(pim)",
"value": 0.442
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 9.8
},
{
"type": "CC(1/2)",
"value": 0.600
}
]
},
{
"resolution_limits": [2.21,2.12],
"number_observations_unique": 8410,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.064
},
{
"type": "R(meas)",
"value": 1.109
},
{
"type": "R(pim)",
"value": 0.312
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 12.2
},
{
"type": "CC(1/2)",
"value": 0.827
}
]
},
{
"resolution_limits": [2.31,2.21],
"number_observations_unique": 8436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.764
},
{
"type": "R(meas)",
"value": 0.796
},
{
"type": "R(pim)",
"value": 0.220
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [2.43,2.31],
"number_observations_unique": 8405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.516
},
{
"type": "R(meas)",
"value": 0.539
},
{
"type": "R(pim)",
"value": 0.153
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 12.2
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [2.58,2.43],
"number_observations_unique": 8473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.453
},
{
"type": "R(meas)",
"value": 0.470
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.0
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.78,2.58],
"number_observations_unique": 8482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 13.9
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.06,2.78],
"number_observations_unique": 8515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 13.5
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.51,3.06],
"number_observations_unique": 8482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 12.4
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.42,3.51],
"number_observations_unique": 8662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.00,4.42],
"number_observations_unique": 8891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}