Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f047202b75e71f115d87973741f2e059",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 127.340,
"b": 127.340,
"c": 125.731,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00001],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.060,2.800],
"number_observations_unique": 26114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 51733,
"number_observations_unique": 3741,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.519
},
{
"type": "R(meas)",
"value": 1.577
},
{
"type": "R(pim)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [45.020,8.850],
"number_observations": 11043,
"number_observations_unique": 945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 40.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}