Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "d2fc8b56d2ffa29ff4fa2f033120b293",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.961,
"b": 68.664,
"c": 149.991,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99998],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.20],
"number_observations": 90999,
"number_observations_unique": 23935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
"refln_shells": [
{
"resolution_limits": [2.24,2.20],
"number_observations_unique": 1127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "R(meas)",
"value": 0.678
},
{
"type": "R(pim)",
"value": 0.350
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.536
}
]
},
{
"resolution_limits": [2.28,2.24],
"number_observations_unique": 1180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.636
},
{
"type": "R(meas)",
"value": 0.758
},
{
"type": "R(pim)",
"value": 0.403
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.492
}
]
},
{
"resolution_limits": [2.32,2.28],
"number_observations_unique": 1140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.596
},
{
"type": "R(meas)",
"value": 0.702
},
{
"type": "R(pim)",
"value": 0.364
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.585
}
]
},
{
"resolution_limits": [2.37,2.32],
"number_observations_unique": 1202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "R(meas)",
"value": 0.649
},
{
"type": "R(pim)",
"value": 0.340
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.563
}
]
},
{
"resolution_limits": [2.42,2.37],
"number_observations_unique": 1161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "R(meas)",
"value": 0.628
},
{
"type": "R(pim)",
"value": 0.329
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.622
}
]
},
{
"resolution_limits": [2.48,2.42],
"number_observations_unique": 1209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.497
},
{
"type": "R(meas)",
"value": 0.585
},
{
"type": "R(pim)",
"value": 0.303
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.702
}
]
},
{
"resolution_limits": [2.54,2.48],
"number_observations_unique": 1176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "R(meas)",
"value": 0.518
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.773
}
]
},
{
"resolution_limits": [2.61,2.54],
"number_observations_unique": 1194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "R(meas)",
"value": 0.479
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
},
{
"resolution_limits": [2.69,2.61],
"number_observations_unique": 1178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "R(meas)",
"value": 0.450
},
{
"type": "R(pim)",
"value": 0.235
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.776
}
]
},
{
"resolution_limits": [2.77,2.69],
"number_observations_unique": 1193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.407
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [2.87,2.77],
"number_observations_unique": 1199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(meas)",
"value": 0.359
},
{
"type": "R(pim)",
"value": 0.186
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
},
{
"resolution_limits": [2.99,2.87],
"number_observations_unique": 1209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "R(meas)",
"value": 0.301
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [3.12,2.99],
"number_observations_unique": 1196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [3.29,3.12],
"number_observations_unique": 1192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [3.49,3.29],
"number_observations_unique": 1214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [3.76,3.49],
"number_observations_unique": 1197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [4.14,3.76],
"number_observations_unique": 1212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.74,4.14],
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.97,4.74],
"number_observations_unique": 1249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [50.00,5.97],
"number_observations_unique": 1301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}