Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "60ae821347eb41422554f1a588ee6bbb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 74.299,
"b": 89.614,
"c": 82.603,
"alpha": 90.00,
"beta": 115.33,
"gamma": 90.00
},
"wavelengths": [0.91960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [89.61,1.58],
"number_observations_unique": 130968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.7
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.67,1.58],
"number_observations_unique": 18830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "R(meas)",
"value": 0.631
},
{
"type": "R(pim)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
}
]
}