Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1648b16a51816109c67e32b793b4ad0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 117.739,
"b": 195.224,
"c": 119.094,
"alpha": 90.0,
"beta": 101.6,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.735,3.5840],
"number_observations": 201456,
"number_observations_unique": 61166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.730,3.5840],
"number_observations": 12959,
"number_observations_unique": 4108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.753
},
{
"type": "R(pim)",
"value": 0.492
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.554
}
]
},
{
"resolution_limits": [29.760,15.840],
"number_observations": 2121,
"number_observations_unique": 645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 66.800
},
{
"type": "Completeness",
"value": 85.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}