Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d8c74b794464b09a8e8f70ffe00ce188",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.769,
"b": 51.666,
"c": 82.911,
"alpha": 90.00,
"beta": 100.25,
"gamma": 90.00
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.670,1.500],
"number_observations": 374604,
"number_observations_unique": 58503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 18170,
"number_observations_unique": 2863,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.455
},
{
"type": "R(meas)",
"value": 1.588
},
{
"type": "R(pim)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.679
}
]
},
{
"resolution_limits": [51.670,8.220],
"number_observations": 2471,
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 43.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}