Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1584fd8c27a5e8d1d972bf6aec73514f",
"space_group_name": "I 21 21 21",
"unit_cell": {
"a": 31.395,
"b": 48.645,
"c": 54.192,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.82600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.20,0.90],
"number_observations_unique": 28800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 19.0
},
{
"type": "Completeness",
"value": 92.5
},
{
"type": "Redundancy",
"value": 12.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.92,0.90],
"number_observations": 4660,
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.061
},
{
"type": "R(meas)",
"value": 2.233
},
{
"type": "R(pim)",
"value": 0.834
},
{
"type": "I/SigI",
"value": 0.3
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.294
}
]
}
]
}