Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0472be40d0399601fd2ac37e2032bcfc",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.62,
"b": 45.64,
"c": 83.75,
"alpha": 90.00,
"beta": 101.81,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.130,2.090],
"number_observations": 81058,
"number_observations_unique": 25225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.090],
"number_observations": 5072,
"number_observations_unique": 1801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.826
},
{
"type": "R(meas)",
"value": 1.029
},
{
"type": "R(pim)",
"value": 0.602
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.589
}
]
},
{
"resolution_limits": [39.130,9.350],
"number_observations": 1160,
"number_observations_unique": 341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 48.200
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}