Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aff06b4e6ad3710bf34a631c476db2fe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.408,
"b": 55.985,
"c": 65.855,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.655,1.17],
"number_observations_unique": 53004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 25.3
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 1.00
}
]
},
"refln_shells": [
{
"resolution_limits": [1.19,1.17],
"number_observations_unique": 2284,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.125
},
{
"type": "R(pim)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 86.6
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
}
]
}