Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0dea67b877e296e8f03ae1eefad2df69",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.464,
"b": 71.464,
"c": 150.185,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.410,1.340],
"number_observations": 1029795,
"number_observations_unique": 88326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 20899,
"number_observations_unique": 4190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.743
},
{
"type": "R(meas)",
"value": 0.830
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.671
}
]
},
{
"resolution_limits": [29.410,7.330],
"number_observations": 7072,
"number_observations_unique": 653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 46.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
}
]
}