Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b20a3a0d037951ba7d338b6ac8b8cb18",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 89.00,
"b": 138.16,
"c": 185.15,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91929],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.570,3.500],
"number_observations": 156577,
"number_observations_unique": 29261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.710,3.500],
"number_observations": 25243,
"number_observations_unique": 4695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.828
},
{
"type": "R(pim)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [92.570,10.500],
"number_observations": 5590,
"number_observations_unique": 1145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 25.200
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}