Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c6b517bc38d9c790e6385ce1e0bbd3fa",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 68.30,
"b": 109.46,
"c": 117.27,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.020,1.990],
"number_observations": 428996,
"number_observations_unique": 60867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 28844,
"number_observations_unique": 4399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(pim)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [80.020,8.910],
"number_observations": 5063,
"number_observations_unique": 785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 26.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}