Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "189c1d94132f6e61b4ffd640841121fe",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 111.678,
"b": 111.678,
"c": 50.749,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54056],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.94,1.87],
"number_observations_unique": 30196,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 16.08
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 10.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.94,1.87],
"number_observations_unique": 2922,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 1.11
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [2.02,1.94],
"number_observations_unique": 3012,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 2.40
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 10.2
},
{
"type": "CC(1/2)",
"value": 0.837
}
]
},
{
"resolution_limits": [2.11,2.02],
"number_observations_unique": 3038,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 4.34
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.0
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [2.22,2.11],
"number_observations_unique": 3038,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 5.71
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [2.36,2.22],
"number_observations_unique": 3038,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 7.29
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.55,2.36],
"number_observations_unique": 3038,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 8.91
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.0
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.81,2.55],
"number_observations_unique": 3038,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 13.12
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.0
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.23,2.81],
"number_observations_unique": 3038,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 21.10
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.09,3.23],
"number_observations_unique": 3038,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 41.68
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [19.94,4.09],
"number_observations_unique": 2996,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 55.83
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 9.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}