Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "a27d761bf74a6bfa08de2b5f809c1b97",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 31.32,
"b": 66.78,
"c": 95.31,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97853],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.45,1.59],
"number_observations_unique": 27710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 15.8
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 12.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.62,1.59],
"number_observations_unique": 1326,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.143
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "CC(1/2)",
"value": 0.534
}
]
}
]
}