Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0e8c484039ea2a893b5ea518bbf050d2",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 205.451,
"b": 205.451,
"c": 66.803,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.850,2.050],
"number_observations": 762663,
"number_observations_unique": 101083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.050],
"number_observations": 37775,
"number_observations_unique": 5007,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.026
},
{
"type": "R(pim)",
"value": 0.398
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.608
}
]
},
{
"resolution_limits": [19.850,11.230],
"number_observations": 3693,
"number_observations_unique": 537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 38.900
},
{
"type": "Completeness",
"value": 81.600
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}