Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cce4e29be683bf494874a58c49694f30",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.909,
"b": 148.689,
"c": 64.534,
"alpha": 90.0,
"beta": 99.5,
"gamma": 90.0
},
"wavelengths": [0.97914],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.340,2.310],
"number_observations": 144751,
"number_observations_unique": 43025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.310],
"number_observations": 25027,
"number_observations_unique": 6950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(meas)",
"value": 0.542
},
{
"type": "R(pim)",
"value": 0.282
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [74.340,7.310],
"number_observations": 5157,
"number_observations_unique": 1495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}