Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b44b9f0eb3c478a45147f26eccdb86f",
"space_group_name": "P 43 3 2",
"unit_cell": {
"a": 165.328,
"b": 165.328,
"c": 165.328,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97890],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.230,3.250],
"number_observations": 516745,
"number_observations_unique": 12744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 40.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [3.510,3.250],
"number_observations": 101270,
"number_observations_unique": 2538,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.142
},
{
"type": "R(meas)",
"value": 1.157
},
{
"type": "R(pim)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 39.900
},
{
"type": "CC(1/2)",
"value": 0.609
}
]
},
{
"resolution_limits": [29.230,8.590],
"number_observations": 22529,
"number_observations_unique": 780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 28.900
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}