Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2354881e93d83a4a7abec1bfd9494e7f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.53,
"b": 67.96,
"c": 40.29,
"alpha": 90.00,
"beta": 93.45,
"gamma": 90.00
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.46,1.10],
"number_observations_unique": 84239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 16.8
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.13,1.10],
"number_observations_unique": 5415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "R(meas)",
"value": 0.471
},
{
"type": "R(pim)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 85.6
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
}
]
}