Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "66bf8e68a47fac6017a371b4c138cdf5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.09,
"b": 57.23,
"c": 115.16,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.710,1.370],
"number_observations": 459814,
"number_observations_unique": 73098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.370],
"number_observations": 27527,
"number_observations_unique": 5336,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.491
},
{
"type": "R(meas)",
"value": 1.662
},
{
"type": "R(pim)",
"value": 0.723
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.519
}
]
},
{
"resolution_limits": [23.710,6.130],
"number_observations": 5558,
"number_observations_unique": 929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 83.400
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}