Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f59d55f1540e633df0d78d63785aa56",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 35.722,
"b": 13.113,
"c": 21.717,
"alpha": 90.00,
"beta": 123.34,
"gamma": 90.00
},
"wavelengths": [0.72930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.143,0.7670],
"number_observations_unique": 9030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [0.790,0.770],
"number_observations": 1587,
"number_observations_unique": 209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.677
},
{
"type": "R(meas)",
"value": 0.726
},
{
"type": "R(pim)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 28.900
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [18.140,3.430],
"number_observations": 2014,
"number_observations_unique": 133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 35.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 15.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}