Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4ceb76b6eab114e17743a4cd3380477c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 105.628,
"b": 153.389,
"c": 155.529,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53,3.300],
"number_observations_unique": 38582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.394
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
"refln_shells": [
{
"resolution_limits": [3.450,3.300],
"number_observations_unique": 4628,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.757
},
{
"type": "R(meas)",
"value": 1.918
},
{
"type": "R(pim)",
"value": 0.761
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.539
}
]
},
{
"resolution_limits": [52.810,11.430],
"number_observations_unique": 1029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}