Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a653dc51af724cc60cb0e60874f50f4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.920,
"b": 52.349,
"c": 65.829,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.97,1.52],
"number_observations": 129247,
"number_observations_unique": 23603,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 10.1
},
{
"type": "Completeness",
"value": 93.9
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.57,1.52],
"number_observations": 4434,
"number_observations_unique": 1652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.610
},
{
"type": "R(meas)",
"value": 0.754
},
{
"type": "R(pim)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.534
}
]
}
]
}