Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78d7c8aac121c3d423b7750201ea13ff",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.198,
"b": 47.155,
"c": 78.152,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.08,1.45],
"number_observations_unique": 43187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 17.0
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 12.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.53,1.45],
"number_observations": 30347,
"number_observations_unique": 3342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "R(meas)",
"value": 0.499
},
{
"type": "R(pim)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Redundancy",
"value": 9.1
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
}
]
}