Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "34b34a94b6c7aae0409f1ab72a71150c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 62.91,
"b": 89.56,
"c": 61.37,
"alpha": 90.00,
"beta": 96.64,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.620,1.660],
"number_observations": 128715,
"number_observations_unique": 38595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.660],
"number_observations_unique": 2774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.848
},
{
"type": "R(meas)",
"value": 1.053
},
{
"type": "R(pim)",
"value": 0.613
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.425
}
]
},
{
"resolution_limits": [25.620,7.420],
"number_observations_unique": 449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}