Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2108aae687e52181b25fe7de856bc308",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.049,
"b": 75.022,
"c": 107.049,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11580],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.525,1.290],
"number_observations_unique": 99888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.290],
"number_observations": 21967,
"number_observations_unique": 5160,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.227
},
{
"type": "R(meas)",
"value": 1.399
},
{
"type": "R(pim)",
"value": 0.655
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 69.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.531
}
]
},
{
"resolution_limits": [53.520,5.770],
"number_observations": 15591,
"number_observations_unique": 1325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 48.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}