Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c046c32a8348bec8efe96758bea5afe",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.067,
"b": 98.534,
"c": 58.837,
"alpha": 90.00,
"beta": 107.67,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.270,1.850],
"number_observations": 185584,
"number_observations_unique": 50275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 11461,
"number_observations_unique": 3055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.759
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
},
{
"resolution_limits": [49.270,9.060],
"number_observations": 1593,
"number_observations_unique": 447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 40.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}