Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f1ed2a595fbf2c13bf44810416888e3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.87,
"b": 68.24,
"c": 69.46,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.12720,0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.000,1.550],
"number_observations_unique": 39875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.757
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [1.62,1.58],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.639
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 8.6
}
]
}
]
}