Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2e1640373d0c6ce0cf6d3f5cb06cc59a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.086,
"b": 76.916,
"c": 154.379,
"alpha": 90.00,
"beta": 93.78,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.600],
"number_observations": 599784,
"number_observations_unique": 99765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 77.300
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 1145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.938
},
{
"type": "R(meas)",
"value": 1.091
},
{
"type": "R(pim)",
"value": 0.552
},
{
"type": "Completeness",
"value": 17.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.526
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 1614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.789
},
{
"type": "R(meas)",
"value": 0.913
},
{
"type": "R(pim)",
"value": 0.455
},
{
"type": "Completeness",
"value": 25.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.618
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 2076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.682
},
{
"type": "R(meas)",
"value": 0.785
},
{
"type": "R(pim)",
"value": 0.387
},
{
"type": "Completeness",
"value": 32.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 2549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "R(meas)",
"value": 0.661
},
{
"type": "R(pim)",
"value": 0.324
},
{
"type": "Completeness",
"value": 40.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.743
}
]
},
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 3058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "R(pim)",
"value": 0.259
},
{
"type": "Completeness",
"value": 47.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.811
}
]
},
{
"resolution_limits": [1.800,1.760],
"number_observations_unique": 3765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.378
},
{
"type": "R(meas)",
"value": 0.433
},
{
"type": "R(pim)",
"value": 0.207
},
{
"type": "Completeness",
"value": 58.900
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 4457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(meas)",
"value": 0.358
},
{
"type": "R(pim)",
"value": 0.169
},
{
"type": "Completeness",
"value": 69.200
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 5150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "Completeness",
"value": 79.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 5745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 6315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.232
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 6390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations_unique": 6388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.270,2.170],
"number_observations_unique": 6390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.390,2.270],
"number_observations_unique": 6369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.540,2.390],
"number_observations_unique": 6209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations_unique": 6436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.010,2.740],
"number_observations_unique": 6443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.450,3.010],
"number_observations_unique": 6385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.340,3.450],
"number_observations_unique": 6370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.000,4.340],
"number_observations_unique": 6511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}