Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2ac94074948ffee944b9d160da5422b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.004,
"b": 99.999,
"c": 59.269,
"alpha": 90.00,
"beta": 108.31,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.650],
"number_observations": 490396,
"number_observations_unique": 72975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 24233,
"number_observations_unique": 3584,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.260
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.703
}
]
},
{
"resolution_limits": [50.000,9.040],
"number_observations": 3140,
"number_observations_unique": 470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 40.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}