Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "dfa9e558ccade4e6bc765cbc39cc6ce7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.791,
"b": 71.510,
"c": 97.579,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.75,1.41],
"number_observations_unique": 70479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 13.4
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.43,1.41],
"number_observations_unique": 3458,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.034
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.544
}
]
}
]
}