Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a12141eec4ac8cbbe49057535698dd1a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 63.50,
"b": 112.30,
"c": 159.88,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.65,1.70],
"number_observations": 1669149,
"number_observations_unique": 126278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 22.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.74,1.70],
"number_observations": 101839,
"number_observations_unique": 9236,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.145
},
{
"type": "R(meas)",
"value": 1.201
},
{
"type": "R(pim)",
"value": 0.359
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Redundancy",
"value": 11.0
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
}
]
}