Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b627033cc37b29417cdc2f3c099d7c78",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.506,
"b": 79.244,
"c": 67.716,
"alpha": 90.00,
"beta": 130.38,
"gamma": 90.00
},
"wavelengths": [0.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.4,1.11],
"number_observations_unique": 100869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 16.2
},
{
"type": "Completeness",
"value": 79.2
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.22,1.11],
"number_observations_unique": 5044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.688
},
{
"type": "R(meas)",
"value": 0.774
},
{
"type": "R(pim)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
}
]
}