Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "004aa2a086a6d0006e5fa6dbf8350477",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.209,
"b": 50.776,
"c": 161.878,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.00000,9793.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.94,1.35],
"number_observations_unique": 67982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.37,1.35],
"number_observations_unique": 2523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "R(pim)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 75.0
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
}
]
}