Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fcac2dcd8bd815b9706f187b5a02f72e",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.146,
"b": 70.207,
"c": 85.329,
"alpha": 102.49,
"beta": 96.07,
"gamma": 112.49
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.440,1.880],
"number_observations": 318845,
"number_observations_unique": 95074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.880],
"number_observations": 13144,
"number_observations_unique": 4572,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.245
},
{
"type": "R(meas)",
"value": 1.553
},
{
"type": "R(pim)",
"value": 0.907
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.403
}
]
},
{
"resolution_limits": [81.440,10.290],
"number_observations": 2316,
"number_observations_unique": 594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 38.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}