Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "350b35c43369415d70aae0fd25cb5477",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.041,
"b": 91.173,
"c": 47.944,
"alpha": 90.00,
"beta": 113.02,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.01],
"number_observations_unique": 21190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 10.91
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
"refln_shells": [
{
"resolution_limits": [2.13,2.01],
"number_observations_unique": 3328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.929
},
{
"type": "R(pim)",
"value": 0.756
},
{
"type": "I/SigI",
"value": 1.41
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [2.28,2.13],
"number_observations_unique": 3217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.568
},
{
"type": "I/SigI",
"value": 2.97
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [2.46,2.28],
"number_observations_unique": 2964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 5.05
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [2.7,2.46],
"number_observations_unique": 2773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 8.35
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [3.01,2.70],
"number_observations_unique": 2532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "I/SigI",
"value": 13.13
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.809
}
]
},
{
"resolution_limits": [3.48,3.01],
"number_observations_unique": 2202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 17.98
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [4.25,3.48],
"number_observations_unique": 1887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 24.40
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
},
{
"resolution_limits": [5.99,4.25],
"number_observations_unique": 1470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 25.75
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [50.0,5.99],
"number_observations_unique": 817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 27.04
},
{
"type": "Completeness",
"value": 96.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}