Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ccb167b891d1253d2f99fc40fde5676b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 84.74,
"b": 136.95,
"c": 155.92,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872,1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.230,1.950],
"number_observations": 408609,
"number_observations_unique": 66158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 18.030
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.176
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 30351,
"number_observations_unique": 4848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.595
},
{
"type": "R(meas)",
"value": 0.649
},
{
"type": "I/SigI",
"value": 2.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.261
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations": 29701,
"number_observations_unique": 4746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "R(meas)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 3.480
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.258
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations": 28746,
"number_observations_unique": 4612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 5.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.233
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.180,2.120],
"number_observations": 27874,
"number_observations_unique": 4447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "I/SigI",
"value": 6.270
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.268
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.250,2.180],
"number_observations": 27146,
"number_observations_unique": 4335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 7.750
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.262
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.330,2.250],
"number_observations": 26205,
"number_observations_unique": 4178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 9.540
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.272
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.420,2.330],
"number_observations": 25497,
"number_observations_unique": 4060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 11.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.280
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.520,2.420],
"number_observations": 24452,
"number_observations_unique": 3911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 14.260
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.252
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.630,2.520],
"number_observations": 23579,
"number_observations_unique": 3757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 17.160
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.276
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.760,2.630],
"number_observations": 22223,
"number_observations_unique": 3577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 20.840
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.213
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.910,2.760],
"number_observations": 21160,
"number_observations_unique": 3412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 24.460
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.202
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.080,2.910],
"number_observations": 19974,
"number_observations_unique": 3239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 27.880
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.167
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.300,3.080],
"number_observations": 18480,
"number_observations_unique": 3028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 31.650
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.103
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.560,3.300],
"number_observations": 17126,
"number_observations_unique": 2842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 34.640
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.026
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.900,3.560],
"number_observations": 15834,
"number_observations_unique": 2639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 36.830
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.360,3.900],
"number_observations": 14252,
"number_observations_unique": 2379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 38.590
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.991
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.030,4.360],
"number_observations": 12714,
"number_observations_unique": 2129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 39.250
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.972
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.170,5.030],
"number_observations": 10737,
"number_observations_unique": 1801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 39.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.962
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.720,6.170],
"number_observations": 8411,
"number_observations_unique": 1425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 39.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.902
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [37.230,8.720],
"number_observations": 4147,
"number_observations_unique": 793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 37.620
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.230
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}