Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27c61d35267db6eb7b47d77a9f9ce0fe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 77.97,
"b": 95.04,
"c": 208.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.540,1.700],
"number_observations_unique": 165966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.486
},
{
"type": "R(meas)",
"value": 0.525
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [35.540,9.310],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}