Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a3179829c3cc9992efa758720cc2ed1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.779,
"b": 108.468,
"c": 112.036,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.990,1.730],
"number_observations": 693026,
"number_observations_unique": 102308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.730],
"number_observations": 103167,
"number_observations_unique": 14712,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.853
},
{
"type": "R(meas)",
"value": 1.999
},
{
"type": "R(pim)",
"value": 0.745
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.490
}
]
},
{
"resolution_limits": [64.990,5.460],
"number_observations": 21825,
"number_observations_unique": 3518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 47.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}