Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "871426d26769247e8c5ef69e15ec3f10",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 102.655,
"b": 105.907,
"c": 299.120,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [149.560,1.890],
"number_observations_unique": 261001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.890],
"number_observations": 77436,
"number_observations_unique": 11780,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.010
},
{
"type": "R(meas)",
"value": 1.095
},
{
"type": "R(pim)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [149.560,10.330],
"number_observations": 10965,
"number_observations_unique": 1810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 28.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}