Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad5e560d4f31c4aadb0694cc9853b2b5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.293,
"b": 59.958,
"c": 95.360,
"alpha": 90.00,
"beta": 107.11,
"gamma": 90.00
},
"wavelengths": [0.91800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.819,1.628],
"number_observations_unique": 77191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.80
},
{
"type": "Completeness",
"value": 99.61
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.628],
"number_observations_unique": 7581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.628
},
{
"type": "R(meas)",
"value": 0.729
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 2.05
},
{
"type": "Completeness",
"value": 98.35
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.778
}
]
}
]
}