Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04dab80dd669580c1b5501c6f35b0cf4",
"space_group_name": "P 1",
"unit_cell": {
"a": 42.811,
"b": 43.337,
"c": 43.346,
"alpha": 65.27,
"beta": 83.42,
"gamma": 83.39
},
"wavelengths": [0.97879],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.490,1.500],
"number_observations_unique": 66932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 3756,
"number_observations_unique": 2066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "R(meas)",
"value": 0.563
},
{
"type": "R(pim)",
"value": 0.398
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [19.490,8.220],
"number_observations": 434,
"number_observations_unique": 231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}