Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a9441e20cb20bea6ea0208c058590118",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.995,
"b": 27.470,
"c": 56.483,
"alpha": 90.00,
"beta": 100.04,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.660,1.150],
"number_observations": 172608,
"number_observations_unique": 32310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 72.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 118,
"number_observations_unique": 113,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.064
},
{
"type": "R(meas)",
"value": 2.919
},
{
"type": "R(pim)",
"value": 2.064
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 5.100
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [55.660,6.200],
"number_observations": 1915,
"number_observations_unique": 325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 36.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
}
]
}