Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5fa8ac2666c5987728f918b52c444766",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 38.961,
"b": 53.512,
"c": 83.294,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.28297],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.020,1.800],
"number_observations_unique": 8158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
"refln_shells": [
{
"resolution_limits": [1.83,1.800],
"number_observations_unique": 334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.52
},
{
"type": "R(pim)",
"value": 0.33
},
{
"type": "Completeness",
"value": 77.9
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.78
}
]
},
{
"resolution_limits": [45.04,4.88],
"number_observations_unique": 459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
}
]
}