Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f425eb4fd8b25d2f548088e4c0cf8b77",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.677,
"b": 88.048,
"c": 89.784,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.86100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.932,1.50],
"number_observations_unique": 63544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [44.89,8.22],
"number_observations_unique": 467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 22.6
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.53,1.50],
"number_observations_unique": 2992,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.928
},
{
"type": "R(meas)",
"value": 2.139
},
{
"type": "R(pim)",
"value": 0.918
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 10.2
},
{
"type": "CC(1/2)",
"value": 0.535
}
]
}
]
}