Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3561b789a7425654147e94a5b2457073",
"space_group_name": "P 43",
"unit_cell": {
"a": 54.48,
"b": 54.48,
"c": 75.36,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96871],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.150,1.470],
"number_observations": 243933,
"number_observations_unique": 37406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.470],
"number_observations": 18117,
"number_observations_unique": 2733,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.756
},
{
"type": "R(meas)",
"value": 1.906
},
{
"type": "R(pim)",
"value": 0.737
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.378
}
]
},
{
"resolution_limits": [44.150,6.570],
"number_observations": 2683,
"number_observations_unique": 444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 46.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}