Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f58825906f7ab02d2900d3512f45ae8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 115.230,
"b": 174.350,
"c": 114.304,
"alpha": 90.0,
"beta": 119.8,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [86.742,2.889],
"number_observations_unique": 27743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 92.7
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.178,2.889],
"number_observations_unique": 1371,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.058
},
{
"type": "R(meas)",
"value": 1.253
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 75.0
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.609
}
]
}
]
}