Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "68b0dcd8368107b2f9f877b5ebd3fddb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.850,
"b": 57.087,
"c": 115.020,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.510,1.520],
"number_observations": 343517,
"number_observations_unique": 53305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.520],
"number_observations": 25502,
"number_observations_unique": 3876,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.577
},
{
"type": "R(meas)",
"value": 1.715
},
{
"type": "R(pim)",
"value": 0.667
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.304
}
]
},
{
"resolution_limits": [57.510,6.800],
"number_observations": 4316,
"number_observations_unique": 709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}