Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c24a718d3d73faa9078c7effdcb6702",
"space_group_name": "P 31",
"unit_cell": {
"a": 114.635,
"b": 114.635,
"c": 90.951,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.49,3.30],
"number_observations": 105196,
"number_observations_unique": 20115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "R(meas)",
"value": 0.400
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
"refln_shells": [
{
"resolution_limits": [3.56,3.30],
"number_observations": 20841,
"number_observations_unique": 4177,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.024
},
{
"type": "R(meas)",
"value": 1.145
},
{
"type": "R(pim)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.550
}
]
}
]
}