Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e8553b87c19e1ccdf696934c7e83d678",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 98.085,
"b": 80.926,
"c": 51.659,
"alpha": 90.000,
"beta": 114.838,
"gamma": 90.000
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.369,1.95],
"number_observations_unique": 26757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 15.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.06,1.95],
"number_observations_unique": 3919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.826
},
{
"type": "R(meas)",
"value": 0.892
},
{
"type": "R(pim)",
"value": 0.335
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.809
}
]
}
]
}