Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ce99f52b80636f3ff0370e20de3072bd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.962,
"b": 81.246,
"c": 124.331,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.010,1.620],
"number_observations": 1099791,
"number_observations_unique": 54681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.620],
"number_observations": 92809,
"number_observations_unique": 7785,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.564
},
{
"type": "R(meas)",
"value": 2.678
},
{
"type": "R(pim)",
"value": 0.753
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.459
}
]
},
{
"resolution_limits": [68.010,5.130],
"number_observations": 36958,
"number_observations_unique": 1930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 59.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}