Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b2cd8f6558593bd32fcd486a8eb11b5",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 62.568,
"b": 62.568,
"c": 342.039,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.170,1.900],
"number_observations": 599045,
"number_observations_unique": 32844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 43556,
"number_observations_unique": 2340,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.032
},
{
"type": "R(meas)",
"value": 3.117
},
{
"type": "R(pim)",
"value": 0.716
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.600
},
{
"type": "CC(1/2)",
"value": 0.697
}
]
},
{
"resolution_limits": [54.170,8.500],
"number_observations": 7654,
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 31.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}