Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de46f920e3183e50fdcdb5f2eeacf007",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 217.515,
"b": 217.515,
"c": 319.800,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.610,2.300],
"number_observations": 4132787,
"number_observations_unique": 196082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations": 196562,
"number_observations_unique": 9580,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.453
},
{
"type": "R(pim)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.500
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [61.610,12.600],
"number_observations": 26391,
"number_observations_unique": 1400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 38.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 18.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}