Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cec73e92cef19bffe70f100fdcc3df1f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 105.271,
"b": 158.550,
"c": 181.846,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.150,2.250],
"number_observations_unique": 144473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1852
},
{
"type": "R(meas)",
"value": 0.1924
},
{
"type": "R(pim)",
"value": 0.0518
},
{
"type": "I/SigI",
"value": 14.23
},
{
"type": "Completeness",
"value": 99.93
},
{
"type": "Redundancy",
"value": 13.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.250],
"number_observations": 130643,
"number_observations_unique": 10477,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.308
},
{
"type": "R(meas)",
"value": 4.493
},
{
"type": "I/SigI",
"value": 0.560
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.470
},
{
"type": "CC(1/2)",
"value": 0.201
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations": 145575,
"number_observations_unique": 10329,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.183
},
{
"type": "R(meas)",
"value": 3.302
},
{
"type": "I/SigI",
"value": 0.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.094
},
{
"type": "CC(1/2)",
"value": 0.347
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations": 143538,
"number_observations_unique": 10088,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.440
},
{
"type": "R(meas)",
"value": 2.530
},
{
"type": "I/SigI",
"value": 1.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.229
},
{
"type": "CC(1/2)",
"value": 0.455
}
]
},
{
"resolution_limits": [2.510,2.440],
"number_observations": 137952,
"number_observations_unique": 9737,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.916
},
{
"type": "R(meas)",
"value": 1.987
},
{
"type": "I/SigI",
"value": 1.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.168
},
{
"type": "CC(1/2)",
"value": 0.596
}
]
},
{
"resolution_limits": [2.600,2.510],
"number_observations": 132824,
"number_observations_unique": 9454,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.517
},
{
"type": "R(meas)",
"value": 1.574
},
{
"type": "I/SigI",
"value": 1.840
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.050
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [2.690,2.600],
"number_observations": 127166,
"number_observations_unique": 9169,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.206
},
{
"type": "R(meas)",
"value": 1.252
},
{
"type": "I/SigI",
"value": 2.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.869
},
{
"type": "CC(1/2)",
"value": 0.763
}
]
},
{
"resolution_limits": [2.790,2.690],
"number_observations": 120825,
"number_observations_unique": 8843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.981
},
{
"type": "R(meas)",
"value": 1.019
},
{
"type": "I/SigI",
"value": 2.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.663
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [2.900,2.790],
"number_observations": 109479,
"number_observations_unique": 8511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.694
},
{
"type": "R(meas)",
"value": 0.723
},
{
"type": "I/SigI",
"value": 3.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.863
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [3.030,2.900],
"number_observations": 109725,
"number_observations_unique": 8193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.521
},
{
"type": "R(meas)",
"value": 0.541
},
{
"type": "I/SigI",
"value": 5.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.393
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [3.180,3.030],
"number_observations": 108989,
"number_observations_unique": 7855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "R(meas)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 7.750
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.875
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.350,3.180],
"number_observations": 97785,
"number_observations_unique": 7440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "I/SigI",
"value": 10.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.143
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.560,3.350],
"number_observations": 95918,
"number_observations_unique": 7083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 14.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.542
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.800,3.560],
"number_observations": 94763,
"number_observations_unique": 6673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.201
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.110,3.800],
"number_observations": 86750,
"number_observations_unique": 6212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 30.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.965
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.500,4.110],
"number_observations": 78384,
"number_observations_unique": 5724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 40.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.694
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.030,4.500],
"number_observations": 69276,
"number_observations_unique": 5235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 47.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.233
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.810,5.030],
"number_observations": 58640,
"number_observations_unique": 4615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 43.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.706
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.110,5.810],
"number_observations": 51658,
"number_observations_unique": 3950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 45.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.078
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.060,7.110],
"number_observations": 42691,
"number_observations_unique": 3103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 71.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.758
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [48.150,10.060],
"number_observations": 22585,
"number_observations_unique": 1774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 85.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 12.731
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}