Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b9272b32035efa3c662f6bac3637455b",
"space_group_name": "P 43",
"unit_cell": {
"a": 54.56,
"b": 54.56,
"c": 75.56,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96871],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.230,1.390],
"number_observations": 291260,
"number_observations_unique": 44148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.390],
"number_observations": 20062,
"number_observations_unique": 3242,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.422
},
{
"type": "R(meas)",
"value": 1.552
},
{
"type": "R(pim)",
"value": 0.613
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.441
}
]
},
{
"resolution_limits": [44.230,6.220],
"number_observations": 3258,
"number_observations_unique": 525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 48.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}