Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "4017608cfa730760f7bc5ff00c893555",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.182,
"b": 163.040,
"c": 51.165,
"alpha": 90.00,
"beta": 117.34,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [163.04,1.68],
"number_observations_unique": 78480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [163.04,9.05],
"number_observations_unique": 535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 43.7
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.71,1.68],
"number_observations_unique": 3390,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.658
},
{
"type": "R(meas)",
"value": 2.056
},
{
"type": "R(pim)",
"value": 1.195
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Completeness",
"value": 82.3
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
}
]
}