Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "13e6f08e8745d9b6b37fde802fc3468b",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.812,
"b": 88.812,
"c": 39.671,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.410,1.020],
"number_observations": 1002781,
"number_observations_unique": 156618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.040,1.020],
"number_observations": 40359,
"number_observations_unique": 7398,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.078
},
{
"type": "R(meas)",
"value": 2.299
},
{
"type": "R(pim)",
"value": 0.957
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.377
}
]
},
{
"resolution_limits": [44.410,5.590],
"number_observations": 7030,
"number_observations_unique": 1040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 44.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}