Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ce037cf2c36c9a9bb31f3d4c559b37a7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.640,
"b": 40.058,
"c": 68.291,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00004],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.020,1.350],
"number_observations_unique": 35969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations_unique": 870,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.086
},
{
"type": "R(meas)",
"value": 2.302
},
{
"type": "R(pim)",
"value": 0.944
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.421
}
]
},
{
"resolution_limits": [40.020,7.270],
"number_observations_unique": 171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}