Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "23ed43fd42716b14e36d18baf6a0d192",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.95,
"b": 44.43,
"c": 56.13,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.08,1.55],
"number_observations": 100957,
"number_observations_unique": 15042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 28.2
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.58,1.55],
"number_observations": 4324,
"number_observations_unique": 696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
}
]
}