Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "bfe43881a098361a3deac179fb0c90c7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.951,
"b": 53.751,
"c": 115.573,
"alpha": 90.00,
"beta": 101.13,
"gamma": 90.00
},
"wavelengths": [0.95300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [113.4,1.75],
"number_observations_unique": 54839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.78,1.75],
"number_observations_unique": 2700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.871
},
{
"type": "R(meas)",
"value": 0.947
},
{
"type": "R(pim)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
}
]
}