Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "96d11707065377eb70f792711dde73ee",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 307.021,
"b": 56.219,
"c": 94.837,
"alpha": 90.00,
"beta": 105.38,
"gamma": 90.00
},
"wavelengths": [0.97852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,3.034],
"number_observations_unique": 30260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [3.10,3.05],
"number_observations_unique": 1376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.762
},
{
"type": "R(meas)",
"value": 0.881
},
{
"type": "R(pim)",
"value": 0.433
},
{
"type": "Completeness",
"value": 90.9
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.721
}
]
},
{
"resolution_limits": [3.16,3.10],
"number_observations_unique": 1463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.767
},
{
"type": "R(meas)",
"value": 0.881
},
{
"type": "R(pim)",
"value": 0.426
},
{
"type": "Completeness",
"value": 94.5
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [3.22,3.16],
"number_observations_unique": 1448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.774
},
{
"type": "R(meas)",
"value": 0.886
},
{
"type": "R(pim)",
"value": 0.422
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [3.29,3.22],
"number_observations_unique": 1514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.615
},
{
"type": "R(meas)",
"value": 0.701
},
{
"type": "R(pim)",
"value": 0.331
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 4.3
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [3.36,3.29],
"number_observations_unique": 1514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.569
},
{
"type": "R(meas)",
"value": 0.644
},
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 4.5
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [3.43,3.36],
"number_observations_unique": 1485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "R(meas)",
"value": 0.599
},
{
"type": "R(pim)",
"value": 0.274
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.899
}
]
},
{
"resolution_limits": [3.52,3.43],
"number_observations_unique": 1541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "R(meas)",
"value": 0.495
},
{
"type": "R(pim)",
"value": 0.223
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 4.6
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [3.62,3.52],
"number_observations_unique": 1466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "R(meas)",
"value": 0.416
},
{
"type": "R(pim)",
"value": 0.178
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [3.72,3.62],
"number_observations_unique": 1549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(meas)",
"value": 0.357
},
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.84,3.72],
"number_observations_unique": 1498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.98,3.84],
"number_observations_unique": 1538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [4.14,3.98],
"number_observations_unique": 1521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [4.33,4.14],
"number_observations_unique": 1535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.56,4.33],
"number_observations_unique": 1496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 4.5
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.84,4.56],
"number_observations_unique": 1527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [5.21,4.84],
"number_observations_unique": 1556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.74,5.21],
"number_observations_unique": 1528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [6.57,5.74],
"number_observations_unique": 1533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [8.27,6.57],
"number_observations_unique": 1565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [50.00,8.27],
"number_observations_unique": 1607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}