Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9c495e62a38f5645379c6f3f7b35eb0b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 52.323,
"b": 42.530,
"c": 54.753,
"alpha": 90.00,
"beta": 95.45,
"gamma": 90.00
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.53,1.40],
"number_observations_unique": 46519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.42,1.40],
"number_observations_unique": 2277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "R(meas)",
"value": 0.414
},
{
"type": "R(pim)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
}
]
}