Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "764d7ebb892ae2271ae18ea623f841df",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 98.323,
"b": 52.678,
"c": 58.665,
"alpha": 90.00,
"beta": 117.86,
"gamma": 90.00
},
"wavelengths": [0.89000,2.70000,3.50000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.01,1.10],
"number_observations_unique": 104600,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 14.77
},
{
"type": "Completeness",
"value": 96
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.16,1.10],
"number_observations_unique": 15549,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.96
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 88.88
},
{
"type": "CC(1/2)",
"value": 0.663
}
]
},
{
"resolution_limits": [1.90,1.80],
"number_observations_unique": 776,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.514
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "CC(1/2)",
"value": 0.666
}
]
}
]
}