Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "503e4d5ad86734e161a616024fb80265",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.647,
"b": 88.647,
"c": 39.212,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.320,1.000],
"number_observations": 1045171,
"number_observations_unique": 163945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,1.000],
"number_observations": 36209,
"number_observations_unique": 7595,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.166
},
{
"type": "R(meas)",
"value": 1.309
},
{
"type": "R(pim)",
"value": 0.583
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.667
}
]
},
{
"resolution_limits": [44.320,5.480],
"number_observations": 7487,
"number_observations_unique": 1084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 54.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}