Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "112a0415730f7e1ac07489ee38e0528b",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 68.91,
"b": 68.91,
"c": 123.93,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630,1.07210],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.7426,1.91],
"number_observations_unique": 44135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 21.0
},
{
"type": "Completeness",
"value": 99.83
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.96,1.91],
"number_observations_unique": 1720,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.378
},
{
"type": "R(meas)",
"value": 1.255
},
{
"type": "R(pim)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 13.5
},
{
"type": "CC(1/2)",
"value": 0.8
}
]
},
{
"resolution_limits": [2.21,2.15],
"number_observations_unique": 16303,
"quality_factors": [
{
"type": "R(meas)",
"value": 1.478
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 13.3
},
{
"type": "CC(1/2)",
"value": 0.757
}
]
}
]
}