Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8dad2344e47e5d8da5c22b2003ddaf7a",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 45.92,
"b": 45.92,
"c": 105.04,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97720],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.09,1.50],
"number_observations_unique": 18549,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 32.8
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 25.4
},
{
"type": "CC(1/2)",
"value": 1
}
]
},
"refln_shells": [
{
"resolution_limits": [1.54,1.50],
"number_observations_unique": 1274,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.726
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 23.9
},
{
"type": "CC(1/2)",
"value": 0.325
}
]
},
{
"resolution_limits": [1.58,1.54],
"number_observations_unique": 1283,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 26.1
},
{
"type": "CC(1/2)",
"value": 0.585
}
]
},
{
"resolution_limits": [1.62,1.58],
"number_observations_unique": 1276,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.348
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 27.1
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [1.68,1.62],
"number_observations_unique": 1269,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 26.9
},
{
"type": "CC(1/2)",
"value": 0.842
}
]
},
{
"resolution_limits": [1.74,1.68],
"number_observations_unique": 1298,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 26.2
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [1.81,1.74],
"number_observations_unique": 1300,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 25.0
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.89,1.81],
"number_observations_unique": 1298,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 25.9
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.99,1.89],
"number_observations_unique": 1317,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 18.1
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 26.9
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.11,1.99],
"number_observations_unique": 1319,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 29.0
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 26.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.28,2.11],
"number_observations_unique": 1320,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 41.3
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 24.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.50,2.28],
"number_observations_unique": 1353,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 56.4
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 25.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.87,2.50],
"number_observations_unique": 1362,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 73.4
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 25.8
},
{
"type": "CC(1/2)",
"value": 1
}
]
},
{
"resolution_limits": [3.61,2.87],
"number_observations_unique": 1386,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 89.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 23.1
},
{
"type": "CC(1/2)",
"value": 1
}
]
},
{
"resolution_limits": [42.09,3.61],
"number_observations_unique": 1494,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 103.7
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 23.0
},
{
"type": "CC(1/2)",
"value": 1
}
]
}
]
}