Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "0cc23c61d7933fd51443a6d88f24b697",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 35.717,
"b": 64.690,
"c": 73.584,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.58,1.77],
"number_observations": 89336,
"number_observations_unique": 15450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.5
},
{
"type": "Completeness",
"value": 90.0
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.81,1.77],
"number_observations": 863,
"number_observations_unique": 421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.764
},
{
"type": "R(meas)",
"value": 0.978
},
{
"type": "R(pim)",
"value": 0.599
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.403
}
]
}
]
}