Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ae1ca9ff0e877060475e3349b106a6c2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.575,
"b": 56.584,
"c": 102.125,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.170,2.170],
"number_observations": 110519,
"number_observations_unique": 17478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.292
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.170],
"number_observations": 6928,
"number_observations_unique": 1166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.960
},
{
"type": "R(meas)",
"value": 1.052
},
{
"type": "R(pim)",
"value": 0.423
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.613
}
]
},
{
"resolution_limits": [29.170,9.720],
"number_observations": 1387,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}