Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "83f601358373f10cb56d60c4d5d2cd08",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 210.17,
"b": 450.98,
"c": 624.13,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [153.740,2.550],
"number_observations": 7719767,
"number_observations_unique": 1887449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 6.190
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.090
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.620,2.550],
"number_observations": 552877,
"number_observations_unique": 139550,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.506
},
{
"type": "R(meas)",
"value": 1.736
},
{
"type": "I/SigI",
"value": 0.930
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.962
},
{
"type": "CC(1/2)",
"value": 0.189
}
]
},
{
"resolution_limits": [2.690,2.620],
"number_observations": 539237,
"number_observations_unique": 136103,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.233
},
{
"type": "R(meas)",
"value": 1.421
},
{
"type": "I/SigI",
"value": 1.120
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.962
},
{
"type": "CC(1/2)",
"value": 0.251
}
]
},
{
"resolution_limits": [2.770,2.690],
"number_observations": 525083,
"number_observations_unique": 132405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.995
},
{
"type": "R(meas)",
"value": 1.147
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.966
},
{
"type": "CC(1/2)",
"value": 0.353
}
]
},
{
"resolution_limits": [2.850,2.770],
"number_observations": 505945,
"number_observations_unique": 127862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.799
},
{
"type": "R(meas)",
"value": 0.921
},
{
"type": "I/SigI",
"value": 1.730
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.957
},
{
"type": "CC(1/2)",
"value": 0.465
}
]
},
{
"resolution_limits": [2.940,2.850],
"number_observations": 468950,
"number_observations_unique": 123237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.583
},
{
"type": "R(meas)",
"value": 0.677
},
{
"type": "I/SigI",
"value": 2.280
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.805
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [3.050,2.940],
"number_observations": 455609,
"number_observations_unique": 120363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "R(meas)",
"value": 0.500
},
{
"type": "I/SigI",
"value": 3.050
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.785
},
{
"type": "CC(1/2)",
"value": 0.734
}
]
},
{
"resolution_limits": [3.160,3.050],
"number_observations": 498860,
"number_observations_unique": 116396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(meas)",
"value": 0.384
},
{
"type": "I/SigI",
"value": 4.350
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.286
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [3.290,3.160],
"number_observations": 484659,
"number_observations_unique": 112241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "I/SigI",
"value": 5.510
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.318
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [3.440,3.290],
"number_observations": 462342,
"number_observations_unique": 107622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 6.490
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.296
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [3.610,3.440],
"number_observations": 440088,
"number_observations_unique": 102763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 7.380
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.283
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [3.800,3.610],
"number_observations": 414033,
"number_observations_unique": 97749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 8.440
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.236
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [4.030,3.800],
"number_observations": 381710,
"number_observations_unique": 92007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 9.460
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.149
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [4.310,4.030],
"number_observations": 331728,
"number_observations_unique": 85438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 10.090
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.883
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [4.660,4.310],
"number_observations": 322823,
"number_observations_unique": 80345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 11.240
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.018
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [5.100,4.660],
"number_observations": 324888,
"number_observations_unique": 74391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 12.520
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.367
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [5.700,5.100],
"number_observations": 292866,
"number_observations_unique": 67511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 13.240
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.338
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [6.580,5.700],
"number_observations": 257763,
"number_observations_unique": 59722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 13.320
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.316
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [8.060,6.580],
"number_observations": 205703,
"number_observations_unique": 50629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 13.850
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.063
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [11.400,8.060],
"number_observations": 158883,
"number_observations_unique": 38902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 15.340
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.084
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [153.740,11.400],
"number_observations": 95720,
"number_observations_unique": 22213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 17.350
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.309
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}