Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ee10d890274032ed9de6f6466130bb3",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 53.953,
"b": 53.953,
"c": 245.110,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.020,2.200],
"number_observations": 586280,
"number_observations_unique": 11716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 25.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 50.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 52612,
"number_observations_unique": 990,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.211
},
{
"type": "R(meas)",
"value": 3.242
},
{
"type": "R(pim)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 53.100
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [49.020,9.070],
"number_observations": 7900,
"number_observations_unique": 240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 85.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 32.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}