Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "24d7d67965dec3b6bbc6d8f2b872b707",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 66.914,
"b": 169.040,
"c": 170.130,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.09,2.09],
"number_observations": 1546549,
"number_observations_unique": 114968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.14,2.09],
"number_observations": 112015,
"number_observations_unique": 8370,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.706
},
{
"type": "R(meas)",
"value": 1.773
},
{
"type": "R(pim)",
"value": 0.482
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Redundancy",
"value": 13.4
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
}
]
}