Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d9ea5384491db1e0a88e1bc6cf27332",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 99.79,
"b": 99.79,
"c": 50.21,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.900,1.950],
"number_observations_unique": 21281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 1561,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.568
},
{
"type": "R(meas)",
"value": 1.659
},
{
"type": "R(pim)",
"value": 0.533
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.468
}
]
},
{
"resolution_limits": [49.900,8.720],
"number_observations_unique": 274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}