Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14cfb3cfa2ef72123f8349781f0be47b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 36.333,
"b": 100.440,
"c": 106.970,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.49,3.25],
"number_observations": 45745,
"number_observations_unique": 6132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 92.4
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.43,3.25],
"number_observations": 3695,
"number_observations_unique": 844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.541
},
{
"type": "R(meas)",
"value": 0.605
},
{
"type": "R(pim)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
}
]
}