Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d294b43920a0bb8574cb8cd31d96cfe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 69.800,
"b": 178.131,
"c": 196.482,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.36],
"number_observations_unique": 99068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 6.21
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
"refln_shells": [
{
"resolution_limits": [2.39,2.36],
"number_observations_unique": 4335,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.126
},
{
"type": "R(meas)",
"value": 1.25
},
{
"type": "R(pim)",
"value": 0.518
},
{
"type": "I/SigI",
"value": 1.08
},
{
"type": "Completeness",
"value": 85.6
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.548
}
]
}
]
}