Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab9aa5d74f9cf167018a1731df5561c5",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 79.127,
"b": 79.127,
"c": 233.260,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.41,1.68],
"number_observations_unique": 32535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 21.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.71,1.68],
"number_observations_unique": 1712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.999
},
{
"type": "R(meas)",
"value": 1.115
},
{
"type": "R(pim)",
"value": 0.490
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.9
},
{
"type": "CC(1/2)",
"value": 0.692
}
]
},
{
"resolution_limits": [44.41,8.89],
"number_observations_unique": 260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 69.6
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 8.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}