Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "44c2a945a3f7eca2e87973d23374f5ce",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 78.397,
"b": 90.142,
"c": 100.076,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.75,2.20],
"number_observations_unique": 36733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 19.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.27,2.20],
"number_observations_unique": 3134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "R(meas)",
"value": 0.613
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
}
]
}