Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "73bbf1240467cb9199f2ee4a4548437a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.356,
"b": 52.467,
"c": 46.358,
"alpha": 90.00,
"beta": 116.82,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.487,1.340],
"number_observations_unique": 42055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 98.38
},
{
"type": "Redundancy",
"value": 6.73
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.36,1.34],
"number_observations_unique": 2016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.601
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "CC(1/2)",
"value": 0.827
}
]
}
]
}