Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "55e8c25eee0e60ca88ec815c73389d2d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.535,
"b": 53.697,
"c": 114.746,
"alpha": 90.000,
"beta": 100.803,
"gamma": 90.000
},
"wavelengths": [0.97800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.75,2.2],
"number_observations_unique": 27231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.13
},
{
"type": "R(meas)",
"value": 0.14
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 99.53
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
"refln_shells": [
{
"resolution_limits": [2.28,2.2],
"number_observations_unique": 2691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.79
},
{
"type": "R(meas)",
"value": 0.86
},
{
"type": "R(pim)",
"value": 0.32
},
{
"type": "I/SigI",
"value": 33.4
},
{
"type": "CC(1/2)",
"value": 0.79
}
]
}
]
}