Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "12995fb51bae93ab043bd55ea7e953dc",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 36.794,
"b": 36.794,
"c": 141.035,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546,2.75520],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.602,1.08],
"number_observations_unique": 42597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 23.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.099,1.081],
"number_observations_unique": 2026,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.650
},
{
"type": "R(meas)",
"value": 3.749
},
{
"type": "R(pim)",
"value": 0.844
},
{
"type": "I/SigI",
"value": 13.8
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 19.4
},
{
"type": "CC(1/2)",
"value": 0.483
}
]
},
{
"resolution_limits": [1.83,1.80],
"number_observations_unique": 476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Redundancy",
"value": 11.0
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}