Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e85c85dff4261646f65fd13f4f8e6f8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.806,
"b": 50.810,
"c": 90.035,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.120,1.360],
"number_observations_unique": 40483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 12.720
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.360],
"number_observations_unique": 3945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3282
},
{
"type": "I/SigI",
"value": 2.210
},
{
"type": "Completeness",
"value": 97.87
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.796
}
]
}
]
}