Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b65b58e690772bb8333b0c3c329b687",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.283,
"b": 135.283,
"c": 234.745,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.51,2.600],
"number_observations": 192154,
"number_observations_unique": 25709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 6.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.474
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.670,2.600],
"number_observations": 14090,
"number_observations_unique": 1866,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.509
},
{
"type": "R(meas)",
"value": 1.621
},
{
"type": "I/SigI",
"value": 1.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.551
},
{
"type": "CC(1/2)",
"value": 0.404
}
]
},
{
"resolution_limits": [2.740,2.670],
"number_observations": 13800,
"number_observations_unique": 1830,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.375
},
{
"type": "R(meas)",
"value": 1.477
},
{
"type": "I/SigI",
"value": 1.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.541
},
{
"type": "CC(1/2)",
"value": 0.462
}
]
},
{
"resolution_limits": [2.820,2.740],
"number_observations": 13722,
"number_observations_unique": 1818,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.125
},
{
"type": "R(meas)",
"value": 1.208
},
{
"type": "I/SigI",
"value": 2.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.548
},
{
"type": "CC(1/2)",
"value": 0.532
}
]
},
{
"resolution_limits": [2.910,2.820],
"number_observations": 12992,
"number_observations_unique": 1724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.963
},
{
"type": "R(meas)",
"value": 1.033
},
{
"type": "I/SigI",
"value": 2.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.536
},
{
"type": "CC(1/2)",
"value": 0.648
}
]
},
{
"resolution_limits": [3.000,2.910],
"number_observations": 12569,
"number_observations_unique": 1664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.823
},
{
"type": "R(meas)",
"value": 0.881
},
{
"type": "I/SigI",
"value": 3.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.553
},
{
"type": "CC(1/2)",
"value": 0.729
}
]
},
{
"resolution_limits": [3.110,3.000],
"number_observations": 12223,
"number_observations_unique": 1618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.722
},
{
"type": "R(meas)",
"value": 0.772
},
{
"type": "I/SigI",
"value": 3.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.554
},
{
"type": "CC(1/2)",
"value": 0.773
}
]
},
{
"resolution_limits": [3.220,3.110],
"number_observations": 11889,
"number_observations_unique": 1575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.576
},
{
"type": "R(meas)",
"value": 0.616
},
{
"type": "I/SigI",
"value": 4.770
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.549
},
{
"type": "CC(1/2)",
"value": 0.841
}
]
},
{
"resolution_limits": [3.360,3.220],
"number_observations": 11475,
"number_observations_unique": 1523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "R(meas)",
"value": 0.492
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.534
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [3.510,3.360],
"number_observations": 11044,
"number_observations_unique": 1463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 7.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.549
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [3.680,3.510],
"number_observations": 10344,
"number_observations_unique": 1376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 8.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.517
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [3.880,3.680],
"number_observations": 10042,
"number_observations_unique": 1332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 9.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.539
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [4.110,3.880],
"number_observations": 9417,
"number_observations_unique": 1260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 10.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.474
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [4.390,4.110],
"number_observations": 8776,
"number_observations_unique": 1181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 10.990
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.431
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [4.750,4.390],
"number_observations": 8177,
"number_observations_unique": 1103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 11.670
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.413
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [5.200,4.750],
"number_observations": 7694,
"number_observations_unique": 1037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 11.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.419
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [5.810,5.200],
"number_observations": 6851,
"number_observations_unique": 930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 11.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.367
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [6.710,5.810],
"number_observations": 6017,
"number_observations_unique": 822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.320
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [8.220,6.710],
"number_observations": 5029,
"number_observations_unique": 698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 12.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.205
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [11.630,8.220],
"number_observations": 3941,
"number_observations_unique": 564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 13.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.988
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [43.510,11.630],
"number_observations": 2062,
"number_observations_unique": 325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 13.380
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.345
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}