Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "7637cf3f8dd2d0552043d752d40d1da8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.427,
"b": 83.635,
"c": 58.895,
"alpha": 90.00,
"beta": 108.39,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.860,1.660],
"number_observations": 372375,
"number_observations_unique": 59244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.660],
"number_observations": 11952,
"number_observations_unique": 2717,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.145
},
{
"type": "R(meas)",
"value": 2.438
},
{
"type": "R(pim)",
"value": 1.140
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.288
}
]
},
{
"resolution_limits": [55.860,9.090],
"number_observations": 2306,
"number_observations_unique": 392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 68.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
}
]
}