Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "99790884d4c7168132b1ce5c4df027be",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 134.650,
"b": 47.082,
"c": 113.052,
"alpha": 90.00,
"beta": 117.91,
"gamma": 90.00
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40,1.57],
"number_observations_unique": 87085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 24.8
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.92
}
]
},
"refln_shells": [
{
"resolution_limits": [1.6,1.57],
"number_observations_unique": 4335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "R(meas)",
"value": 0.616
},
{
"type": "R(pim)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
}
]
}