Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e4528630c8db4bb868550d13c92804d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.111,
"b": 72.605,
"c": 70.325,
"alpha": 90.000,
"beta": 98.207,
"gamma": 90.000
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.82,1.90],
"number_observations_unique": 33299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 96.1
},
{
"type": "Redundancy",
"value": 4.5
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [1.93,1.90],
"number_observations_unique": 1333,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.20
},
{
"type": "R(meas)",
"value": 1.41
},
{
"type": "R(pim)",
"value": 0.719
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 77.1
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.33
}
]
}
]
}