Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "506dce356ea7c98f5432c06b7f9215c2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 69.596,
"b": 63.135,
"c": 104.860,
"alpha": 90.00,
"beta": 97.59,
"gamma": 90.00
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.09,2.90],
"number_observations_unique": 18679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 27
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.97,2.90],
"number_observations_unique": 1073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.726
},
{
"type": "R(meas)",
"value": 0.799
},
{
"type": "R(pim)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
}
]
}