Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0799ca94cd447d38a3f96b91c8bc0465",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 78.189,
"b": 86.700,
"c": 98.962,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.920,1.900],
"number_observations": 355115,
"number_observations_unique": 53639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 10.550
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.620
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 3923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.944
},
{
"type": "R(meas)",
"value": 0.9
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.250
},
{
"type": "CC(1/2)",
"value": 0.634
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 3817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.790
},
{
"type": "R(meas)",
"value": 0.858
},
{
"type": "I/SigI",
"value": 2.270
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.659
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations_unique": 3716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.646
},
{
"type": "R(meas)",
"value": 0.700
},
{
"type": "I/SigI",
"value": 2.860
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.810
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations_unique": 3628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.515
},
{
"type": "R(meas)",
"value": 0.558
},
{
"type": "I/SigI",
"value": 3.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.760
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations_unique": 3484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "R(meas)",
"value": 0.457
},
{
"type": "I/SigI",
"value": 4.260
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.659
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [2.270,2.190],
"number_observations_unique": 3366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.335
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 5.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.544
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations_unique": 3294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "R(meas)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 5.870
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.254
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.450,2.360],
"number_observations_unique": 3157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "I/SigI",
"value": 7.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.775
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [2.560,2.450],
"number_observations_unique": 3039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 8.080
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.893
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations_unique": 2929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 9.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.864
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.830,2.690],
"number_observations_unique": 2755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 11.330
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.791
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.000,2.830],
"number_observations_unique": 2643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.339
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.210,3.000],
"number_observations_unique": 2451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 15.760
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.687
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.470,3.210],
"number_observations_unique": 2327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 19.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.962
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations_unique": 2130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 24.530
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.823
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations_unique": 1946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 26.330
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.462
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations_unique": 1727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 29.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.324
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.010,4.910],
"number_observations_unique": 1475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 27.580
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.717
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.500,6.010],
"number_observations_unique": 1165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 27.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.079
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [28.920,8.500],
"number_observations_unique": 667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 36.250
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.012
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}