Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a99eda4fcb3e1a30e2c01bc77d2ee60d",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 121.139,
"b": 121.139,
"c": 70.820,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54056],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.64,1.75],
"number_observations_unique": 26724,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 7.32
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 8.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.81,1.75],
"number_observations_unique": 2626,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 1.57
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.585
}
]
},
{
"resolution_limits": [1.89,1.81],
"number_observations_unique": 2679,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 2.32
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [1.98,1.89],
"number_observations_unique": 2681,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 4.18
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [2.08,1.98],
"number_observations_unique": 2681,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 6.65
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.4
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.22,2.08],
"number_observations_unique": 2681,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 9.94
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.39,2.22],
"number_observations_unique": 2681,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 13.37
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.64,2.39],
"number_observations_unique": 2681,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 18.95
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.03,2.64],
"number_observations_unique": 2681,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 28.61
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.85,3.03],
"number_observations_unique": 2681,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 52.82
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [21.64,3.85],
"number_observations_unique": 2652,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 74.09
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 8.7
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}