Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0778fc6cf393f490aecfef7777c99235",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 40.64,
"b": 43.40,
"c": 40.40,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.40,1.37],
"number_observations_unique": 15267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.3
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.41,1.37],
"number_observations_unique": 932,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.370
},
{
"type": "R(meas)",
"value": 2.533
},
{
"type": "R(pim)",
"value": 0.856
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 83.8
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.327
}
]
},
{
"resolution_limits": [40.40,6.13],
"number_observations_unique": 209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 40.5
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 11
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
}
]
}