Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc304b9c8e159404568a2c673fdf7ee8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.857,
"b": 58.143,
"c": 114.915,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.860,1.900],
"number_observations": 178801,
"number_observations_unique": 28192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 13436,
"number_observations_unique": 2051,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.231
},
{
"type": "R(meas)",
"value": 2.417
},
{
"type": "R(pim)",
"value": 0.922
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [40.860,8.500],
"number_observations": 2263,
"number_observations_unique": 379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 20.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}