Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c0dd4f9aecc470f8bd95abb85077789",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.494,
"b": 63.910,
"c": 135.044,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97965],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.34,1.44],
"number_observations_unique": 67371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 17.1
},
{
"type": "Completeness",
"value": 95.5
},
{
"type": "Redundancy",
"value": 13.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.54,1.44],
"number_observations_unique": 3369,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.955
},
{
"type": "R(meas)",
"value": 2.025
},
{
"type": "R(pim)",
"value": 0.525
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 66.5
},
{
"type": "Redundancy",
"value": 14.8
},
{
"type": "CC(1/2)",
"value": 0.605
}
]
}
]
}