Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d307cff010029c2f9256224d5553114f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.826,
"b": 56.364,
"c": 101.424,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.170,1.840],
"number_observations": 154148,
"number_observations_unique": 27374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.840],
"number_observations": 32761,
"number_observations_unique": 5630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.718
},
{
"type": "R(meas)",
"value": 0.789
},
{
"type": "R(pim)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.615
}
]
},
{
"resolution_limits": [22.170,4.870],
"number_observations": 10050,
"number_observations_unique": 1643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}