Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cb07273ad2dc18f6b52adeee49061300",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 70.013,
"b": 82.859,
"c": 70.300,
"alpha": 90.000,
"beta": 105.357,
"gamma": 90.000
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.28,1.95],
"number_observations_unique": 56507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 21.7
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.9999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.06,1.95],
"number_observations_unique": 8229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
}
]
}