Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c762f1c6641e286211a3705c0db9f6ab",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 131.645,
"b": 131.645,
"c": 189.200,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114,1.80],
"number_observations_unique": 89759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 17
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 13.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.83,1.80],
"number_observations_unique": 4534,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.3
},
{
"type": "R(meas)",
"value": 2.484
},
{
"type": "R(pim)",
"value": 0.931
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 13.5
},
{
"type": "CC(1/2)",
"value": 0.694
}
]
}
]
}