Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4401ed953ccd8aa46d7a624ea4920c89",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 105.063,
"b": 105.063,
"c": 306.534,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97916],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.300],
"number_observations": 911944,
"number_observations_unique": 77361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations_unique": 3818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.983
},
{
"type": "R(meas)",
"value": 0.924
},
{
"type": "R(pim)",
"value": 0.602
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.319
}
]
},
{
"resolution_limits": [2.380,2.340],
"number_observations_unique": 3769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.885
},
{
"type": "R(meas)",
"value": 0.745
},
{
"type": "R(pim)",
"value": 0.571
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.385
}
]
},
{
"resolution_limits": [2.430,2.380],
"number_observations_unique": 3796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.713
},
{
"type": "R(meas)",
"value": 0.629
},
{
"type": "R(pim)",
"value": 0.539
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.594
}
]
},
{
"resolution_limits": [2.480,2.430],
"number_observations_unique": 3810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.602
},
{
"type": "R(meas)",
"value": 0.510
},
{
"type": "R(pim)",
"value": 0.487
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.650
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 3768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.487
},
{
"type": "R(meas)",
"value": 0.413
},
{
"type": "R(pim)",
"value": 0.466
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.668
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 3816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "R(meas)",
"value": 0.311
},
{
"type": "R(pim)",
"value": 0.409
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.704
}
]
},
{
"resolution_limits": [2.660,2.590],
"number_observations_unique": 3831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.778
}
]
},
{
"resolution_limits": [2.730,2.660],
"number_observations_unique": 3806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "R(pim)",
"value": 0.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [2.810,2.730],
"number_observations_unique": 3831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [2.900,2.810],
"number_observations_unique": 3817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.212
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 3856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [3.120,3.000],
"number_observations_unique": 3829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [3.260,3.120],
"number_observations_unique": 3857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [3.440,3.260],
"number_observations_unique": 3857,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.650,3.440],
"number_observations_unique": 3880,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.930,3.650],
"number_observations_unique": 3887,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.330,3.930],
"number_observations_unique": 3907,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.950,4.330],
"number_observations_unique": 3965,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.240,4.950],
"number_observations_unique": 4004,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [50.000,6.240],
"number_observations_unique": 4257,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}