Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8ff8e3118d9a65fe33f0e653f0adb728",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.353,
"b": 87.132,
"c": 88.734,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03330],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.406,2.076],
"number_observations_unique": 23704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "R(pim)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 11.2
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [44.37,9.05],
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 20.8
},
{
"type": "Redundancy",
"value": 8.8
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.13,2.08],
"number_observations_unique": 1723,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.497
},
{
"type": "R(meas)",
"value": 1.668
},
{
"type": "R(pim)",
"value": 0.722
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Redundancy",
"value": 9.9
},
{
"type": "CC(1/2)",
"value": 0.647
}
]
}
]
}