Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b3c1dba877761d0994ed33f0f7195dad",
"space_group_name": "I 21 21 21",
"unit_cell": {
"a": 66.502,
"b": 99.265,
"c": 238.922,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.09000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.63,2.35],
"number_observations_unique": 31531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 21.4
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [2.56,2.47],
"number_observations_unique": 2606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.536
},
{
"type": "R(pim)",
"value": 0.487
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [2.47,2.35],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.45
}
]
}
]
}