Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b1e7a145f46b743035df8b111c82328",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 64.272,
"b": 105.571,
"c": 116.260,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.060,2.290],
"number_observations_unique": 36222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.290],
"number_observations": 12513,
"number_observations_unique": 3485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.519
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [48.060,8.870],
"number_observations": 2008,
"number_observations_unique": 649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 24.300
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}