Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e26a60ecf29ed4507b5caddbfe16d89",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 74.501,
"b": 110.700,
"c": 162.816,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.41,1.74],
"number_observations_unique": 69062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 13.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.80,1.74],
"number_observations_unique": 6839,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.672
},
{
"type": "R(meas)",
"value": 1.741
},
{
"type": "R(pim)",
"value": 0.480
},
{
"type": "I/SigI",
"value": 0.36
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.652
}
]
}
]
}