Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8d844156b1af687c2fe4b31bc0c73d0a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.306,
"b": 41.371,
"c": 72.163,
"alpha": 90.00,
"beta": 103.99,
"gamma": 90.00
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,1.20],
"number_observations_unique": 72781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 34.1
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.22,1.20],
"number_observations_unique": 3539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 93.0
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
}
]
}