Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "34a8b30c87f6027d4a3c0c0c8361ae3d",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 38.21,
"b": 71.40,
"c": 76.73,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.365,1.850],
"number_observations": 137737,
"number_observations_unique": 9290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 28.260
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.826
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.506
},
{
"type": "R(meas)",
"value": 0.537
},
{
"type": "I/SigI",
"value": 4.720
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 8.852
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.412
},
{
"type": "R(meas)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 5.830
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.185
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations_unique": 650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(meas)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 8.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.494
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.070,2.010],
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 11.240
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.870
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 15.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.764
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.210,2.140],
"number_observations_unique": 564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 19.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.046
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.290,2.210],
"number_observations_unique": 565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 21.980
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 13.804
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.390,2.290],
"number_observations_unique": 567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 25.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.434
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.490,2.390],
"number_observations_unique": 507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 26.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.237
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.620,2.490],
"number_observations_unique": 499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 29.730
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.222
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.760,2.620],
"number_observations_unique": 491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 33.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.725
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.930,2.760],
"number_observations_unique": 455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 39.330
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.826
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.130,2.930],
"number_observations_unique": 421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 46.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.095
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.380,3.130],
"number_observations_unique": 413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 52.990
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.857
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.700,3.380],
"number_observations_unique": 365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 56.170
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 20.685
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.140,3.700],
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 58.420
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 20.344
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.780,4.140],
"number_observations_unique": 309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 59.220
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 19.981
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.850,4.780],
"number_observations_unique": 257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 57.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.241
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.270,5.850],
"number_observations_unique": 206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 54.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.777
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [38.365,8.270],
"number_observations_unique": 129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 56.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.240
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}