Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fe4b180ed0cee5f8851c81a83db92abe",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 139.358,
"b": 139.358,
"c": 444.613,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,3.29],
"number_observations_unique": 32952,
"quality_factors": [
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.44
}
]
},
"refln_shells": [
{
"resolution_limits": [3.36,3.30],
"number_observations_unique": 1590,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.838
},
{
"type": "R(meas)",
"value": 1.995
},
{
"type": "R(pim)",
"value": 0.755
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.298
}
]
},
{
"resolution_limits": [3.42,3.36],
"number_observations_unique": 1598,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.609
},
{
"type": "R(meas)",
"value": 2.824
},
{
"type": "R(pim)",
"value": 1.051
},
{
"type": "Completeness",
"value": 96.0
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
},
{
"resolution_limits": [3.48,3.42],
"number_observations_unique": 1621,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.731
},
{
"type": "R(meas)",
"value": 6.186
},
{
"type": "R(pim)",
"value": 2.258
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.388
}
]
},
{
"resolution_limits": [3.55,3.48],
"number_observations_unique": 1598,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.415
},
{
"type": "R(meas)",
"value": 3.672
},
{
"type": "R(pim)",
"value": 1.306
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.377
}
]
},
{
"resolution_limits": [3.63,3.55],
"number_observations_unique": 1595,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.359
},
{
"type": "R(meas)",
"value": 1.456
},
{
"type": "R(pim)",
"value": 0.505
},
{
"type": "Completeness",
"value": 96.4
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [3.72,3.63],
"number_observations_unique": 1601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.879
},
{
"type": "R(meas)",
"value": 0.940
},
{
"type": "R(pim)",
"value": 0.321
},
{
"type": "Completeness",
"value": 95.8
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.595
}
]
},
{
"resolution_limits": [3.81,3.72],
"number_observations_unique": 1588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.936
},
{
"type": "R(meas)",
"value": 0.998
},
{
"type": "R(pim)",
"value": 0.335
},
{
"type": "Completeness",
"value": 95.5
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.626
}
]
},
{
"resolution_limits": [3.91,3.81],
"number_observations_unique": 1603,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.032
},
{
"type": "R(meas)",
"value": 5.380
},
{
"type": "R(pim)",
"value": 1.837
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.694
}
]
},
{
"resolution_limits": [4.03,3.91],
"number_observations_unique": 1596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1
},
{
"type": "R(meas)",
"value": 0.1
},
{
"type": "R(pim)",
"value": 0.1
},
{
"type": "Completeness",
"value": 94.9
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
},
{
"resolution_limits": [4.16,4.03],
"number_observations_unique": 1603,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.615
},
{
"type": "R(meas)",
"value": 6.008
},
{
"type": "R(pim)",
"value": 2.061
},
{
"type": "Completeness",
"value": 96.0
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [4.31,4.16],
"number_observations_unique": 1606,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.016
},
{
"type": "R(meas)",
"value": 1.088
},
{
"type": "R(pim)",
"value": 0.377
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [4.48,4.31],
"number_observations_unique": 1631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "R(meas)",
"value": 0.509
},
{
"type": "R(pim)",
"value": 0.176
},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.845
}
]
},
{
"resolution_limits": [4.68,4.48],
"number_observations_unique": 1638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.921
},
{
"type": "R(meas)",
"value": 0.990
},
{
"type": "R(pim)",
"value": 0.353
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [4.93,4.68],
"number_observations_unique": 1655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.841
},
{
"type": "R(meas)",
"value": 0.907
},
{
"type": "R(pim)",
"value": 0.328
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [5.24,4.93],
"number_observations_unique": 1691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.622
},
{
"type": "R(meas)",
"value": 0.671
},
{
"type": "R(pim)",
"value": 0.245
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [5.64,5.24],
"number_observations_unique": 1706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.516
},
{
"type": "R(meas)",
"value": 0.554
},
{
"type": "R(pim)",
"value": 0.197
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [6.21,5.64],
"number_observations_unique": 1705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(meas)",
"value": 0.509
},
{
"type": "R(pim)",
"value": 0.168
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.0
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [7.10,6.21],
"number_observations_unique": 1736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "R(meas)",
"value": 0.450
},
{
"type": "R(pim)",
"value": 0.137
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [8.94,7.10],
"number_observations_unique": 1757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.5
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [50.00,8.94],
"number_observations_unique": 1834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 11.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}