Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6163b72934a144738bb4a61eff2e2bd2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 40.329,
"b": 42.854,
"c": 43.138,
"alpha": 90.00,
"beta": 101.02,
"gamma": 90.00
},
"wavelengths": [0.95374],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.143,1.145],
"number_observations_unique": 39710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 76.3
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.252,1.145],
"number_observations_unique": 1985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.496
},
{
"type": "R(meas)",
"value": 0.622
},
{
"type": "R(pim)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 16.4
},
{
"type": "Redundancy",
"value": 2.5
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
}
]
}