Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5d1fe42cd42874050a4746fecae15cff",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.905,
"b": 32.884,
"c": 62.796,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.690,0.990],
"number_observations_unique": 71263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.040,0.990],
"number_observations": 74434,
"number_observations_unique": 5515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.525
},
{
"type": "R(meas)",
"value": 0.546
},
{
"type": "R(pim)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [18.690,3.130],
"number_observations": 18299,
"number_observations_unique": 1368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 60.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}