Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "abe10eebdd484675fef31adc86f521e6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.69,
"b": 77.63,
"c": 99.61,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [99.610,1.750],
"number_observations": 199849,
"number_observations_unique": 31075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.750],
"number_observations": 13204,
"number_observations_unique": 2224,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.725
},
{
"type": "R(meas)",
"value": 1.894
},
{
"type": "R(pim)",
"value": 0.771
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.497
}
]
},
{
"resolution_limits": [99.610,7.830],
"number_observations": 2354,
"number_observations_unique": 417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 42.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}