Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2a8c51d7f936187f5bda1d58d6d9e93",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 59.982,
"b": 68.718,
"c": 110.413,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.600],
"number_observations": 310821,
"number_observations_unique": 60365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 2953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.877
},
{
"type": "R(meas)",
"value": 0.992
},
{
"type": "R(pim)",
"value": 0.456
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.622
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 2963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.745
},
{
"type": "R(meas)",
"value": 0.840
},
{
"type": "R(pim)",
"value": 0.381
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.748
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 2987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.672
},
{
"type": "R(meas)",
"value": 0.755
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 3014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.604
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 2999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.464
},
{
"type": "R(meas)",
"value": 0.520
},
{
"type": "R(pim)",
"value": 0.232
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [1.800,1.760],
"number_observations_unique": 2966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.433
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 2992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "R(meas)",
"value": 0.340
},
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 3021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(meas)",
"value": 0.290
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 3003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 3034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 3028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations_unique": 3035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.270,2.170],
"number_observations_unique": 3020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.390,2.270],
"number_observations_unique": 3040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.540,2.390],
"number_observations_unique": 3000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations_unique": 3020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.010,2.740],
"number_observations_unique": 3051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.450,3.010],
"number_observations_unique": 3042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.340,3.450],
"number_observations_unique": 3052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [50.000,4.340],
"number_observations_unique": 3145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}