Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "80afcc1d0639de43e629e7103fffdec2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 72.84,
"b": 96.64,
"c": 124.78,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.50200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.720,2.150],
"number_observations": 200266,
"number_observations_unique": 48673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 16871,
"number_observations_unique": 4142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.604
},
{
"type": "R(pim)",
"value": 0.340
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [52.720,8.860],
"number_observations": 2933,
"number_observations_unique": 794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 33.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}