Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "39095988e1b04803cdd3382f8933945e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.057,
"b": 57.862,
"c": 58.899,
"alpha": 90.00,
"beta": 96.95,
"gamma": 90.00
},
"wavelengths": [0.85000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.740,0.950],
"number_observations": 599075,
"number_observations_unique": 180042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [0.970,0.950],
"number_observations": 28340,
"number_observations_unique": 8818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.752
}
]
},
{
"resolution_limits": [42.740,5.200],
"number_observations": 2989,
"number_observations_unique": 1153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
}
]
}