Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "849f2049758115e6951d1fcf930d5167",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.305,
"b": 56.321,
"c": 101.912,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.090,1.520],
"number_observations": 327755,
"number_observations_unique": 49352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.520],
"number_observations": 22938,
"number_observations_unique": 3523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.740
},
{
"type": "R(meas)",
"value": 0.803
},
{
"type": "R(pim)",
"value": 0.308
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [29.090,6.790],
"number_observations": 4019,
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 69.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}