Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "209178dca339fe5e6e1d8a61896ea779",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 35.145,
"b": 35.145,
"c": 180.668,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.170,1.750],
"number_observations": 112667,
"number_observations_unique": 12313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 5393,
"number_observations_unique": 631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.644
},
{
"type": "R(meas)",
"value": 0.684
},
{
"type": "R(pim)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [45.170,9.090],
"number_observations": 911,
"number_observations_unique": 134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}