Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c0069a117e2af63d771081b9babbead7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 468.02,
"b": 159.65,
"c": 248.27,
"alpha": 90.00,
"beta": 113.75,
"gamma": 90.00
},
"wavelengths": [0.62790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.720,6.010],
"number_observations": 463370,
"number_observations_unique": 41729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [6.340,6.010],
"number_observations": 65486,
"number_observations_unique": 5959,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.349
},
{
"type": "R(pim)",
"value": 1.367
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.232
}
]
},
{
"resolution_limits": [39.720,19.020],
"number_observations": 11036,
"number_observations_unique": 1244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 37.500
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
}
]
}