Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23fefbb1b07b87c18e84b1bdbf5036cc",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.266,
"b": 71.053,
"c": 100.693,
"alpha": 90.00,
"beta": 96.22,
"gamma": 90.00
},
"wavelengths": [0.97945],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.9240,1.520],
"number_observations_unique": 136200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.520],
"quality_factors": [
{
"type": "R(merge)",
"value": 8.812
},
{
"type": "Completeness",
"value": 44.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.069
}
]
},
{
"resolution_limits": [37.920,8.330],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}