Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2ea111e9f7e56c8e936e047520dd348a",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 46.231,
"b": 46.231,
"c": 139.328,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95270],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.44,1.88],
"number_observations_unique": 12966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 39.4
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 16.4
},
{
"type": "CC(1/2)",
"value": 1.00
}
]
},
"refln_shells": [
{
"resolution_limits": [1.92,1.88],
"number_observations_unique": 617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.484
},
{
"type": "R(meas)",
"value": 0.499
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 75
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
}
]
}