Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2cbce065d99e9d155564ad3aae5f39d1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.314,
"b": 58.352,
"c": 63.867,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000,2.67000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.1,1.10],
"number_observations_unique": 54414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 20.2
},
{
"type": "Completeness",
"value": 95.0
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.12,1.10],
"number_observations_unique": 1544,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.259
},
{
"type": "R(pim)",
"value": 0.543
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 91.5
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.726
}
]
},
{
"resolution_limits": [1.71,1.65],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 90.0
},
{
"type": "Redundancy",
"value": 2.6
}
]
}
]
}