Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78e741d26f5ce166d72a9d4328ca77bf",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.904,
"b": 92.293,
"c": 79.519,
"alpha": 90.00,
"beta": 100.01,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.150,1.600],
"number_observations": 271517,
"number_observations_unique": 107535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.804
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.544
}
]
},
{
"resolution_limits": [46.150,8.760],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}