Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "922b4c24b9b12f40ba803d010f214805",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 78.872,
"b": 51.880,
"c": 118.319,
"alpha": 90.00,
"beta": 96.49,
"gamma": 90.00
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78,2.78],
"number_observations_unique": 22672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 93.4
},
{
"type": "Redundancy",
"value": 2.9
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.93,2.78],
"number_observations": 4250,
"number_observations_unique": 2241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.457
},
{
"type": "R(meas)",
"value": 0.610
},
{
"type": "R(pim)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Redundancy",
"value": 1.9
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
}
]
}