Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "864065c89ccf9a04e468c68fef5dbe1f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.40,
"b": 64.82,
"c": 53.99,
"alpha": 90.00,
"beta": 102.77,
"gamma": 90.00
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.32,1.68],
"number_observations_unique": 34133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.02
},
{
"type": "I/SigI",
"value": 19.5
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.71,1.68],
"number_observations_unique": 1696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.923
},
{
"type": "R(meas)",
"value": 0.994
},
{
"type": "R(pim)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
}
]
}