Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c4ed99947f1cae12817bb6a2f72f9554",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.049,
"b": 81.876,
"c": 226.159,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98011],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.940,2.510],
"number_observations": 258540,
"number_observations_unique": 31960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.650,2.510],
"number_observations": 38354,
"number_observations_unique": 4573,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.041
},
{
"type": "R(meas)",
"value": 1.109
},
{
"type": "R(pim)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
},
{
"resolution_limits": [19.940,7.950],
"number_observations": 7639,
"number_observations_unique": 1061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 25.000
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}