Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "18f63b51b5c8b635e486eca98e0ebe0f",
"space_group_name": "P 42",
"unit_cell": {
"a": 71.638,
"b": 71.638,
"c": 108.106,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.89],
"number_observations": 157371,
"number_observations_unique": 12267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.94,2.89],
"number_observations_unique": 605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.802
},
{
"type": "R(meas)",
"value": 0.868
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.400
}
]
},
{
"resolution_limits": [2.99,2.94],
"number_observations_unique": 619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.752
},
{
"type": "R(meas)",
"value": 0.801
},
{
"type": "R(pim)",
"value": 0.272
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.618
}
]
},
{
"resolution_limits": [3.05,2.99],
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.717
},
{
"type": "R(meas)",
"value": 0.754
},
{
"type": "R(pim)",
"value": 0.231
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.4
},
{
"type": "CC(1/2)",
"value": 0.705
}
]
},
{
"resolution_limits": [3.11,3.05],
"number_observations_unique": 623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.670
},
{
"type": "R(meas)",
"value": 0.699
},
{
"type": "R(pim)",
"value": 0.199
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.1
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
{
"resolution_limits": [3.18,3.11],
"number_observations_unique": 599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.651
},
{
"type": "R(meas)",
"value": 0.677
},
{
"type": "R(pim)",
"value": 0.185
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.4
},
{
"type": "CC(1/2)",
"value": 0.826
}
]
},
{
"resolution_limits": [3.25,3.18],
"number_observations_unique": 630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "R(meas)",
"value": 0.587
},
{
"type": "R(pim)",
"value": 0.158
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.7
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [3.34,3.25],
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "R(meas)",
"value": 0.502
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.0
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [3.43,3.34],
"number_observations_unique": 613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "R(meas)",
"value": 0.432
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.9
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [3.53,3.43],
"number_observations_unique": 603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(meas)",
"value": 0.363
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.9
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [3.64,3.53],
"number_observations_unique": 620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.7
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.77,3.64],
"number_observations_unique": 619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.6
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.92,3.77],
"number_observations_unique": 601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.10,3.92],
"number_observations_unique": 609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.1
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.32,4.10],
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.7
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.59,4.32],
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.9
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.94,4.59],
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.44,4.94],
"number_observations_unique": 615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.22,5.44],
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [7.84,6.22],
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,7.84],
"number_observations_unique": 636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}