Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fcd0f241b275a64d73b55bc4641a70de",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 42.498,
"b": 46.598,
"c": 114.491,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97925],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.53,1.40],
"number_observations_unique": 40717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 89.4
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.48,1.40],
"number_observations_unique": 3409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "R(meas)",
"value": 0.437
},
{
"type": "R(pim)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 52.8
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
}
]
}