Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b0aefb78ff7135548db7d33d3ce856e",
"space_group_name": "P 1",
"unit_cell": {
"a": 81.61,
"b": 94.67,
"c": 96.32,
"alpha": 72.90,
"beta": 70.95,
"gamma": 64.96
},
"wavelengths": [0.97910,1.77120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.27,2.10],
"number_observations_unique": 131847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 93.0
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.15,2.10],
"number_observations_unique": 9840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.899
},
{
"type": "R(pim)",
"value": 0.534
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 93.8
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
},
{
"resolution_limits": [2.30,2.24],
"number_observations_unique": 7768,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.341
},
{
"type": "R(pim)",
"value": 0.536
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 89.5
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.648
}
]
}
]
}