Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "efc79c6db5554f6d14fad8bccc5631e2",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 146.534,
"b": 146.534,
"c": 146.534,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97880],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.170,2.800],
"number_observations": 65862,
"number_observations_unique": 12526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.800],
"number_observations": 4626,
"number_observations_unique": 930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.759
},
{
"type": "R(meas)",
"value": 0.850
},
{
"type": "R(pim)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.688
}
]
},
{
"resolution_limits": [39.170,12.520],
"number_observations": 761,
"number_observations_unique": 139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}