Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e126fa8188a6e01b4d0699a808ba7692",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 43.048,
"b": 64.749,
"c": 85.046,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97993],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.050,1.450],
"number_observations_unique": 42962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations_unique": 2115,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.376
},
{
"type": "R(meas)",
"value": 1.444
},
{
"type": "R(pim)",
"value": 0.431
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.799
}
]
},
{
"resolution_limits": [43.050,7.940],
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}