Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70b28ee1d6cefb0ec09c8543ff9aa6f9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.796,
"b": 109.993,
"c": 139.327,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.440,1.820],
"number_observations": 355388,
"number_observations_unique": 85790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.820],
"number_observations": 18637,
"number_observations_unique": 4472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.798
},
{
"type": "R(pim)",
"value": 0.445
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.609
}
]
},
{
"resolution_limits": [46.440,9.630],
"number_observations": 2299,
"number_observations_unique": 660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 34.100
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}