Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e8d0eeb0de9d88410c33f17c96026f2f",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 87.77,
"b": 187.25,
"c": 61.69,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.950],
"number_observations_unique": 37513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 21.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.719
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 2743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.595
},
{
"type": "R(meas)",
"value": 0.645
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.810
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations_unique": 2659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "R(meas)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 4.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.821
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations_unique": 2606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "R(meas)",
"value": 0.390
},
{
"type": "I/SigI",
"value": 5.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.820
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.180,2.120],
"number_observations_unique": 2512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "I/SigI",
"value": 7.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.816
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.250,2.180],
"number_observations_unique": 2452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 9.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.809
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.330,2.250],
"number_observations_unique": 2373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 11.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.823
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.420,2.330],
"number_observations_unique": 2287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 13.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.820
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.520,2.420],
"number_observations_unique": 2212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 16.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.787
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.630,2.520],
"number_observations_unique": 2113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 19.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.794
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.760,2.630],
"number_observations_unique": 2032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 23.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.768
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.910,2.760],
"number_observations_unique": 1945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 26.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.754
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.080,2.910],
"number_observations_unique": 1850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 31.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.717
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.300,3.080],
"number_observations_unique": 1708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 35.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.633
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.560,3.300],
"number_observations_unique": 1630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 40.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.605
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.900,3.560],
"number_observations_unique": 1486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 44.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.579
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.360,3.900],
"number_observations_unique": 1363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 46.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.544
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.030,4.360],
"number_observations_unique": 1212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 48.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.508
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.170,5.030],
"number_observations_unique": 1040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 47.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.491
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.720,6.170],
"number_observations_unique": 813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 47.530
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.263
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50,8.720],
"number_observations_unique": 477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 47.130
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.537
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}