Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "154acde1b56ab2fe1164546c7410b8c0",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 80.11,
"b": 80.11,
"c": 138.32,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.160,1.460],
"number_observations": 839630,
"number_observations_unique": 46248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.460],
"number_observations": 48073,
"number_observations_unique": 3345,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.917
},
{
"type": "R(meas)",
"value": 1.988
},
{
"type": "R(pim)",
"value": 0.520
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.531
}
]
},
{
"resolution_limits": [69.160,6.530],
"number_observations": 10208,
"number_observations_unique": 647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 92.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 15.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}