Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79936ad14498ce614332a6c73d6b76b2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 64.621,
"b": 66.727,
"c": 85.993,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.72,3.15],
"number_observations_unique": 12312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.37,3.15],
"number_observations_unique": 3074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.739
},
{
"type": "R(meas)",
"value": 0.769
},
{
"type": "R(pim)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 100
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
}
]
}