Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d5c86e3202c5721d6ea1bdccf8b5c0ce",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.846,
"b": 88.846,
"c": 39.520,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.420,1.000],
"number_observations": 1042680,
"number_observations_unique": 165444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,1.000],
"number_observations": 33014,
"number_observations_unique": 7375,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.918
},
{
"type": "R(meas)",
"value": 2.170
},
{
"type": "R(pim)",
"value": 0.987
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.316
}
]
},
{
"resolution_limits": [44.420,5.480],
"number_observations": 7484,
"number_observations_unique": 1096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 41.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}