Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e1d885b74a6dd7a700386d4e2b5b9aa9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.454,
"b": 73.327,
"c": 82.280,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97890],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.400],
"number_observations": 571007,
"number_observations_unique": 48695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations_unique": 1303,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.249
},
{
"type": "R(meas)",
"value": 1.393
},
{
"type": "R(pim)",
"value": 0.586
},
{
"type": "Completeness",
"value": 49.600
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.371
}
]
},
{
"resolution_limits": [1.450,1.420],
"number_observations_unique": 1523,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.182
},
{
"type": "R(meas)",
"value": 1.282
},
{
"type": "R(pim)",
"value": 0.475
},
{
"type": "Completeness",
"value": 57.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.418
}
]
},
{
"resolution_limits": [1.480,1.450],
"number_observations_unique": 1698,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.112
},
{
"type": "R(meas)",
"value": 1.189
},
{
"type": "R(pim)",
"value": 0.403
},
{
"type": "Completeness",
"value": 64.300
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.599
}
]
},
{
"resolution_limits": [1.510,1.480],
"number_observations_unique": 1967,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.063
},
{
"type": "R(meas)",
"value": 1.125
},
{
"type": "R(pim)",
"value": 0.356
},
{
"type": "Completeness",
"value": 74.600
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.668
}
]
},
{
"resolution_limits": [1.540,1.510],
"number_observations_unique": 2181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.882
},
{
"type": "R(meas)",
"value": 0.929
},
{
"type": "R(pim)",
"value": 0.284
},
{
"type": "Completeness",
"value": 82.900
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [1.580,1.540],
"number_observations_unique": 2407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.796
},
{
"type": "R(meas)",
"value": 0.838
},
{
"type": "R(pim)",
"value": 0.254
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.827
}
]
},
{
"resolution_limits": [1.620,1.580],
"number_observations_unique": 2609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.786
},
{
"type": "R(meas)",
"value": 0.822
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [1.660,1.620],
"number_observations_unique": 2627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.677
},
{
"type": "R(meas)",
"value": 0.705
},
{
"type": "R(pim)",
"value": 0.195
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [1.710,1.660],
"number_observations_unique": 2645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.573
},
{
"type": "R(meas)",
"value": 0.596
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [1.760,1.710],
"number_observations_unique": 2653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.459
},
{
"type": "R(meas)",
"value": 0.477
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [1.830,1.760],
"number_observations_unique": 2665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "R(meas)",
"value": 0.363
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.900,1.830],
"number_observations_unique": 2634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.990,1.900],
"number_observations_unique": 2685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.090,1.990],
"number_observations_unique": 2669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.220,2.090],
"number_observations_unique": 2683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.390,2.220],
"number_observations_unique": 2673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.630,2.390],
"number_observations_unique": 2700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.020,2.630],
"number_observations_unique": 2716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.800,3.020],
"number_observations_unique": 2752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,3.800],
"number_observations_unique": 2905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}