Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c92f0a3cd24c38f3f0cbc7f13a11b45d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.826,
"b": 56.433,
"c": 101.619,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.040,1.500],
"number_observations": 344619,
"number_observations_unique": 52070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 24810,
"number_observations_unique": 3753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.786
},
{
"type": "R(meas)",
"value": 0.853
},
{
"type": "R(pim)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [29.040,6.710],
"number_observations": 4318,
"number_observations_unique": 682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 43.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}