Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cea598fa03603f1f452c8222090831d1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.366,
"b": 91.833,
"c": 119.942,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99985],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.88,2.010],
"number_observations": 418449,
"number_observations_unique": 62697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 12.370
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.674
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 30031,
"number_observations_unique": 4542,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.266
},
{
"type": "R(meas)",
"value": 2.462
},
{
"type": "I/SigI",
"value": 0.930
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.612
},
{
"type": "CC(1/2)",
"value": 0.316
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations": 28474,
"number_observations_unique": 4471,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.608
},
{
"type": "R(meas)",
"value": 1.752
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.369
},
{
"type": "CC(1/2)",
"value": 0.457
}
]
},
{
"resolution_limits": [2.180,2.120],
"number_observations": 29634,
"number_observations_unique": 4350,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.170
},
{
"type": "R(meas)",
"value": 1.268
},
{
"type": "I/SigI",
"value": 1.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.812
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
},
{
"resolution_limits": [2.250,2.180],
"number_observations": 29142,
"number_observations_unique": 4209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.866
},
{
"type": "R(meas)",
"value": 0.937
},
{
"type": "I/SigI",
"value": 2.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.924
},
{
"type": "CC(1/2)",
"value": 0.778
}
]
},
{
"resolution_limits": [2.320,2.250],
"number_observations": 27973,
"number_observations_unique": 4082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.671
},
{
"type": "R(meas)",
"value": 0.727
},
{
"type": "I/SigI",
"value": 3.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.853
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
},
{
"resolution_limits": [2.400,2.320],
"number_observations": 27001,
"number_observations_unique": 4007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "R(meas)",
"value": 0.546
},
{
"type": "I/SigI",
"value": 4.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.738
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [2.490,2.400],
"number_observations": 24963,
"number_observations_unique": 3823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(meas)",
"value": 0.426
},
{
"type": "I/SigI",
"value": 5.080
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.530
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [2.590,2.490],
"number_observations": 23542,
"number_observations_unique": 3674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 6.440
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.408
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [2.710,2.590],
"number_observations": 24657,
"number_observations_unique": 3552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 8.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.942
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.840,2.710],
"number_observations": 23500,
"number_observations_unique": 3391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 10.680
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.930
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.000,2.840],
"number_observations": 22151,
"number_observations_unique": 3230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 13.030
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.858
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.180,3.000],
"number_observations": 20573,
"number_observations_unique": 3070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 16.830
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.701
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.400,3.180],
"number_observations": 18345,
"number_observations_unique": 2896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 21.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.335
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.670,3.400],
"number_observations": 18998,
"number_observations_unique": 2725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 27.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.972
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.020,3.670],
"number_observations": 17095,
"number_observations_unique": 2486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 31.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.877
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.490,4.020],
"number_observations": 14954,
"number_observations_unique": 2255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 34.780
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.631
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.190,4.490],
"number_observations": 12469,
"number_observations_unique": 2029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 35.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.145
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.360,5.190],
"number_observations": 11693,
"number_observations_unique": 1726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 34.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.775
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.990,6.360],
"number_observations": 8506,
"number_observations_unique": 1371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 37.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.204
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [48.880,8.990],
"number_observations": 4748,
"number_observations_unique": 808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 47.060
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.876
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}