Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8675ad97e94b77f60c38a8f2ef0b4a1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.341,
"b": 53.808,
"c": 44.703,
"alpha": 90.000,
"beta": 100.649,
"gamma": 90.000
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.695,2.00],
"number_observations_unique": 18025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [55.69,8.94],
"number_observations_unique": 2192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 10.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.05,2.00],
"number_observations_unique": 14239,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.066
},
{
"type": "R(meas)",
"value": 4.490
},
{
"type": "R(pim)",
"value": 1.893
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 10.8
},
{
"type": "CC(1/2)",
"value": 0.211
}
]
}
]
}