Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "86cdaffe125e4803ee63ee298ac46e19",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.37,
"b": 58.77,
"c": 115.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.470,1.980],
"number_observations": 159039,
"number_observations_unique": 25044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 16.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 12477,
"number_observations_unique": 1869,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.268
},
{
"type": "R(meas)",
"value": 1.374
},
{
"type": "R(pim)",
"value": 0.526
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.799
}
]
},
{
"resolution_limits": [28.470,8.860],
"number_observations": 1967,
"number_observations_unique": 331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 63.000
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}