Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "569bd1687aaf3cc2da9114c4b1a7eeb4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.10,
"b": 92.58,
"c": 115.15,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.580,1.260],
"number_observations": 653930,
"number_observations_unique": 116022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.280,1.260],
"number_observations": 33921,
"number_observations_unique": 6148,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.888
},
{
"type": "R(meas)",
"value": 2.087
},
{
"type": "R(pim)",
"value": 0.872
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.444
}
]
},
{
"resolution_limits": [57.580,6.900],
"number_observations": 5791,
"number_observations_unique": 915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}