Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "a660f0e09f7bea0684f12f603de4c32c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.136,
"b": 78.459,
"c": 54.727,
"alpha": 90.00,
"beta": 104.36,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25,1.80],
"number_observations_unique": 80642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 22.6
},
{
"type": "Completeness",
"value": 99.96
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.86,1.80],
"number_observations_unique": 4048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "R(pim)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
}
]
}