Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af3e2ff42fcad6a6680d7e1826ad9905",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 92.294,
"b": 92.647,
"c": 99.571,
"alpha": 90.0,
"beta": 100.9,
"gamma": 90.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.560],
"number_observations_unique": 19860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
"refln_shells": [
{
"resolution_limits": [3.630,3.570],
"number_observations_unique": 944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "R(meas)",
"value": 0.595
},
{
"type": "R(pim)",
"value": 0.216
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [3.700,3.630],
"number_observations_unique": 1011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.381
},
{
"type": "R(pim)",
"value": 0.138
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [3.770,3.700],
"number_observations_unique": 947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "R(meas)",
"value": 0.459
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [3.850,3.770],
"number_observations_unique": 1032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "R(meas)",
"value": 0.495
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [3.930,3.850],
"number_observations_unique": 946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "R(meas)",
"value": 0.471
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [4.020,3.930],
"number_observations_unique": 1016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.370
},
{
"type": "R(meas)",
"value": 0.397
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [4.120,4.020],
"number_observations_unique": 983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [4.230,4.120],
"number_observations_unique": 1005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "R(meas)",
"value": 0.318
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [4.360,4.230],
"number_observations_unique": 970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [4.500,4.360],
"number_observations_unique": 996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [4.660,4.500],
"number_observations_unique": 990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.840,4.660],
"number_observations_unique": 994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.060,4.840],
"number_observations_unique": 975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [5.330,5.060],
"number_observations_unique": 999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [5.660,5.330],
"number_observations_unique": 1003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [6.100,5.660],
"number_observations_unique": 996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [6.710,6.100],
"number_observations_unique": 1007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [7.680,6.710],
"number_observations_unique": 1022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [9.670,7.680],
"number_observations_unique": 990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,9.670],
"number_observations_unique": 1034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}