Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "51ef59545b565c50a247aaab7c4dab47",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 34.700,
"b": 186.661,
"c": 50.580,
"alpha": 90.00,
"beta": 96.96,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.870,1.370],
"number_observations": 409258,
"number_observations_unique": 130076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.370],
"number_observations": 16283,
"number_observations_unique": 5919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [25.870,7.500],
"number_observations": 2736,
"number_observations_unique": 813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 26.700
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}