Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "86b786f37adee6f9656932594edc85bc",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 115.151,
"b": 65.168,
"c": 74.700,
"alpha": 90.00,
"beta": 125.93,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.67,1.96],
"number_observations": 117719,
"number_observations_unique": 31970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.00,1.96],
"number_observations": 7457,
"number_observations_unique": 2089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "R(meas)",
"value": 0.472
},
{
"type": "R(pim)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
}
]
}