Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "078f9db3b530d3c047c453ca1c8fa900",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 76.691,
"b": 76.691,
"c": 71.676,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.230,1.700],
"number_observations": 244009,
"number_observations_unique": 20639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 85.400
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.700],
"number_observations": 38926,
"number_observations_unique": 3446,
"quality_factors": [
{
"type": "R(merge)",
"value": 9.038
},
{
"type": "R(meas)",
"value": 9.478
},
{
"type": "R(pim)",
"value": 2.828
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
},
{
"resolution_limits": [54.230,5.380],
"number_observations": 9979,
"number_observations_unique": 887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}