Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ee4e1b61ab89cc17549449fdc084f675",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.426,
"b": 71.426,
"c": 150.459,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.400,1.450],
"number_observations": 884439,
"number_observations_unique": 69547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.450],
"number_observations": 35664,
"number_observations_unique": 3453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.762
},
{
"type": "R(meas)",
"value": 0.802
},
{
"type": "R(pim)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [29.400,7.680],
"number_observations": 6214,
"number_observations_unique": 576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}