Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a4e380b5c6ea708a899507fe19f0e302",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.046,
"b": 205.860,
"c": 100.673,
"alpha": 90.00,
"beta": 103.25,
"gamma": 90.00
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.864,2.900],
"number_observations_unique": 52956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
"refln_shells": [
{
"resolution_limits": [2.990,2.900],
"number_observations_unique": 4499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.786
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.418
}
]
},
{
"resolution_limits": [47.864,11.960],
"number_observations_unique": 747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}