Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f19087de9ea5ba81942f24d3cf0f7e1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.925,
"b": 41.771,
"c": 72.877,
"alpha": 90.000,
"beta": 104.499,
"gamma": 90.000
},
"wavelengths": [0.72930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.62,1.40],
"number_observations_unique": 49479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.45,1.40],
"number_observations_unique": 4199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "R(pim)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 85.9
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.770
}
]
}
]
}