Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f4b611c160dbffac8be0c8867b4b9c6c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 124.636,
"b": 52.071,
"c": 95.162,
"alpha": 90.00,
"beta": 126.62,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.58,2.05],
"number_observations_unique": 30902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.0
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.11,2.05],
"number_observations_unique": 2376,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.251
},
{
"type": "R(meas)",
"value": 1.351
},
{
"type": "R(pim)",
"value": 0.507
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.689
}
]
}
]
}