Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8baf328ff6df1dd94b0108b86e1a57a8",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 111.706,
"b": 111.706,
"c": 75.735,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54056],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.88,2.50],
"number_observations_unique": 19154,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 6.38
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 12.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.59,2.50],
"number_observations_unique": 1921,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 1.37
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 13.4
},
{
"type": "CC(1/2)",
"value": 0.760
}
]
},
{
"resolution_limits": [2.70,2.59],
"number_observations_unique": 1922,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.200
},
{
"type": "I/SigI",
"value": 1.88
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.4
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [2.82,2.70],
"number_observations_unique": 1922,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 2.50
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.3
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [2.97,2.82],
"number_observations_unique": 1922,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 3.69
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.2
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [3.16,2.97],
"number_observations_unique": 1922,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 5.77
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.1
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [3.41,3.16],
"number_observations_unique": 1922,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 12.09
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.0
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.77,3.41],
"number_observations_unique": 1922,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 24.43
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.33,3.77],
"number_observations_unique": 1920,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 43.51
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 12.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.50,4.33],
"number_observations_unique": 1920,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 66.43
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 12.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [19.88,5.50],
"number_observations_unique": 1861,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 82.66
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 10.3
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}