Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a10519d609bc882e6b1fc969806dfaa",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.682,
"b": 56.596,
"c": 101.862,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.120,1.550],
"number_observations": 304976,
"number_observations_unique": 47255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 20.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 22093,
"number_observations_unique": 3444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.871
},
{
"type": "R(meas)",
"value": 0.947
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [29.120,6.930],
"number_observations": 3821,
"number_observations_unique": 615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 74.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}