Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d67c638d0b1fde7854cbfc455cb23016",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 49.903,
"b": 72.259,
"c": 80.065,
"alpha": 90.00,
"beta": 98.56,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.75,1.84],
"number_observations_unique": 36742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.87,1.84],
"number_observations_unique": 1005,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.03
},
{
"type": "R(meas)",
"value": 4.44
},
{
"type": "R(pim)",
"value": 1.82
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 84.5
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.33
}
]
}
]
}