Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fce25d18db09adbab28907b8e8ca3319",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 87.09,
"b": 87.09,
"c": 108.60,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.950,2.190],
"number_observations": 505143,
"number_observations_unique": 25083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "R(meas)",
"value": 0.338
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.190],
"number_observations": 33603,
"number_observations_unique": 1840,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.014
},
{
"type": "R(meas)",
"value": 4.128
},
{
"type": "R(pim)",
"value": 0.956
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 18.300
},
{
"type": "CC(1/2)",
"value": 0.341
}
]
},
{
"resolution_limits": [61.950,9.790],
"number_observations": 5478,
"number_observations_unique": 331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 41.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 16.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}