Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7002fa03db9236818a5f94b336c51f3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.47,
"b": 67.95,
"c": 40.26,
"alpha": 90.00,
"beta": 93.78,
"gamma": 90.00
},
"wavelengths": [0.97965],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.38,1.24],
"number_observations_unique": 59078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 24.6
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.27,1.24],
"number_observations_unique": 3669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "R(meas)",
"value": 0.325
},
{
"type": "R(pim)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 82.6
},
{
"type": "Redundancy",
"value": 4.5
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
}
]
}