Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "e727f55d08a258b7e0f5bd3a9a61b4b8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.598,
"b": 123.018,
"c": 70.373,
"alpha": 90.00,
"beta": 100.23,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,3.10],
"number_observations": 99401,
"number_observations_unique": 17774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "R(meas)",
"value": 0.340
},
{
"type": "R(pim)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
"refln_shells": [
{
"resolution_limits": [3.15,3.10],
"number_observations_unique": 713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.757
},
{
"type": "R(meas)",
"value": 0.862
},
{
"type": "R(pim)",
"value": 0.396
},
{
"type": "Completeness",
"value": 78.4
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.368
}
]
},
{
"resolution_limits": [3.21,3.15],
"number_observations_unique": 768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.810
},
{
"type": "R(meas)",
"value": 0.910
},
{
"type": "R(pim)",
"value": 0.400
},
{
"type": "Completeness",
"value": 83.8
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.450
}
]
},
{
"resolution_limits": [3.27,3.21],
"number_observations_unique": 816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.758
},
{
"type": "R(meas)",
"value": 0.853
},
{
"type": "R(pim)",
"value": 0.378
},
{
"type": "Completeness",
"value": 91.6
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.517
}
]
},
{
"resolution_limits": [3.34,3.27],
"number_observations_unique": 880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "R(meas)",
"value": 0.772
},
{
"type": "R(pim)",
"value": 0.335
},
{
"type": "Completeness",
"value": 93.5
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.734
}
]
},
{
"resolution_limits": [3.41,3.34],
"number_observations_unique": 856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.756
},
{
"type": "R(meas)",
"value": 0.844
},
{
"type": "R(pim)",
"value": 0.364
},
{
"type": "Completeness",
"value": 96.1
},
{
"type": "Redundancy",
"value": 4.6
},
{
"type": "CC(1/2)",
"value": 0.508
}
]
},
{
"resolution_limits": [3.49,3.41],
"number_observations_unique": 902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.629
},
{
"type": "R(meas)",
"value": 0.697
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [3.58,3.49],
"number_observations_unique": 878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.627
},
{
"type": "R(meas)",
"value": 0.694
},
{
"type": "R(pim)",
"value": 0.289
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.692
}
]
},
{
"resolution_limits": [3.68,3.58],
"number_observations_unique": 907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.594
},
{
"type": "R(pim)",
"value": 0.244
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [3.78,3.68],
"number_observations_unique": 939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.545
},
{
"type": "R(meas)",
"value": 0.602
},
{
"type": "R(pim)",
"value": 0.251
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [3.91,3.78],
"number_observations_unique": 900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "R(meas)",
"value": 0.471
},
{
"type": "R(pim)",
"value": 0.191
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [4.04,3.91],
"number_observations_unique": 920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "R(meas)",
"value": 0.438
},
{
"type": "R(pim)",
"value": 0.179
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [4.21,4.04],
"number_observations_unique": 892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.355
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [4.40,4.21],
"number_observations_unique": 934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [4.63,4.40],
"number_observations_unique": 908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [4.92,4.63],
"number_observations_unique": 921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [5.30,4.92],
"number_observations_unique": 914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [5.83,5.30],
"number_observations_unique": 915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [6.67,5.83],
"number_observations_unique": 931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [8.40,6.67],
"number_observations_unique": 931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [50.00,8.40],
"number_observations_unique": 949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}