Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "93db365b3e67c7ee3ddb3851578d7588",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 57.279,
"b": 57.279,
"c": 54.296,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99993],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.300,1.000],
"number_observations": 496239,
"number_observations_unique": 45824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.070,1.000],
"number_observations": 19309,
"number_observations_unique": 5242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "R(meas)",
"value": 0.471
},
{
"type": "R(pim)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 68.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
}
]
}