Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2ae369e79cc8156b227d99874f9f839e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 89.002,
"b": 62.489,
"c": 169.759,
"alpha": 90.00,
"beta": 99.77,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [166.970,3.620],
"number_observations": 78622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [3.970,3.620],
"number_observations": 18367,
"number_observations_unique": 4878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.930
},
{
"type": "R(pim)",
"value": 0.552
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.616
}
]
},
{
"resolution_limits": [166.970,8.870],
"number_observations": 5447,
"number_observations_unique": 1503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}