Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc789e5fc1a04bd6bd017982140d7636",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 75.15,
"b": 81.50,
"c": 89.96,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.670,2.560],
"number_observations": 254307,
"number_observations_unique": 18420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.670,2.560],
"number_observations": 31740,
"number_observations_unique": 2212,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.215
},
{
"type": "R(pim)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [57.670,8.870],
"number_observations": 6186,
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 47.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}