Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c78d2c256491c0db43b5ad2f4ca61d4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.163,
"b": 52.569,
"c": 44.749,
"alpha": 90.00,
"beta": 102.56,
"gamma": 90.00
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.90],
"number_observations": 99433,
"number_observations_unique": 20520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "R(pim)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [1.93,1.90],
"number_observations_unique": 1017,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.429
},
{
"type": "R(meas)",
"value": 5.011
},
{
"type": "R(pim)",
"value": 2.310
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.6
},
{
"type": "CC(1/2)",
"value": 0.080
}
]
},
{
"resolution_limits": [1.97,1.93],
"number_observations_unique": 1004,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.426
},
{
"type": "R(meas)",
"value": 3.878
},
{
"type": "R(pim)",
"value": 1.790
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.6
},
{
"type": "CC(1/2)",
"value": 0.093
}
]
},
{
"resolution_limits": [2.01,1.97],
"number_observations_unique": 1019,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.938
},
{
"type": "R(meas)",
"value": 3.320
},
{
"type": "R(pim)",
"value": 1.526
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.088
}
]
},
{
"resolution_limits": [2.05,2.01],
"number_observations_unique": 1032,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.163
},
{
"type": "R(meas)",
"value": 2.441
},
{
"type": "R(pim)",
"value": 1.116
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.151
}
]
},
{
"resolution_limits": [2.09,2.05],
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.908
},
{
"type": "R(meas)",
"value": 2.148
},
{
"type": "R(pim)",
"value": 0.974
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.255
}
]
},
{
"resolution_limits": [2.14,2.09],
"number_observations_unique": 1018,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.575
},
{
"type": "R(meas)",
"value": 1.774
},
{
"type": "R(pim)",
"value": 0.806
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.388
}
]
},
{
"resolution_limits": [2.19,2.14],
"number_observations_unique": 1006,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.538
},
{
"type": "R(meas)",
"value": 1.731
},
{
"type": "R(pim)",
"value": 0.784
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.291
}
]
},
{
"resolution_limits": [2.25,2.19],
"number_observations_unique": 1039,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.128
},
{
"type": "R(meas)",
"value": 1.269
},
{
"type": "R(pim)",
"value": 0.573
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.512
}
]
},
{
"resolution_limits": [2.32,2.25],
"number_observations_unique": 1024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.984
},
{
"type": "R(meas)",
"value": 1.105
},
{
"type": "R(pim)",
"value": 0.498
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.543
}
]
},
{
"resolution_limits": [2.39,2.32],
"number_observations_unique": 1020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.911
},
{
"type": "R(meas)",
"value": 1.024
},
{
"type": "R(pim)",
"value": 0.463
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.606
}
]
},
{
"resolution_limits": [2.48,2.39],
"number_observations_unique": 1035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.777
},
{
"type": "R(meas)",
"value": 0.872
},
{
"type": "R(pim)",
"value": 0.392
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.676
}
]
},
{
"resolution_limits": [2.58,2.48],
"number_observations_unique": 992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.608
},
{
"type": "R(meas)",
"value": 0.683
},
{
"type": "R(pim)",
"value": 0.307
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.759
}
]
},
{
"resolution_limits": [2.70,2.58],
"number_observations_unique": 1026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.497
},
{
"type": "R(meas)",
"value": 0.558
},
{
"type": "R(pim)",
"value": 0.251
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [2.84,2.70],
"number_observations_unique": 1031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "R(meas)",
"value": 0.432
},
{
"type": "R(pim)",
"value": 0.193
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [3.02,2.84],
"number_observations_unique": 1034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [3.25,3.02],
"number_observations_unique": 1027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [3.58,3.25],
"number_observations_unique": 1019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [4.09,3.58],
"number_observations_unique": 1057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [5.16,4.09],
"number_observations_unique": 1033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [50.00,5.16],
"number_observations_unique": 1072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}