Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4dc433b4bc6505ef15800b020922c436",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 114.246,
"b": 126.105,
"c": 131.602,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.400,1.926],
"number_observations_unique": 45883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.105,1.927],
"number_observations": 13693,
"number_observations_unique": 2295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.952
},
{
"type": "R(meas)",
"value": 1.038
},
{
"type": "R(pim)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 62.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.718
}
]
},
{
"resolution_limits": [52.400,6.218],
"number_observations": 13937,
"number_observations_unique": 2293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 39.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}