Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2558d6e300444c45582eaf94ce5406e3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 82.285,
"b": 120.763,
"c": 128.456,
"alpha": 90.000,
"beta": 99.432,
"gamma": 90.000
},
"wavelengths": [0.97853],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,2.55],
"number_observations_unique": 80722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.69,2.55],
"number_observations_unique": 11754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.808
},
{
"type": "R(meas)",
"value": 0.878
},
{
"type": "R(pim)",
"value": 0.340
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
}
]
}