Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c52f9f0f8d0a8dede4ea0bc2bb2503e2",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 77.1,
"b": 77.1,
"c": 71.6,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.600,1.670],
"number_observations": 321603,
"number_observations_unique": 25685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.670],
"number_observations": 20053,
"number_observations_unique": 1864,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.322
},
{
"type": "R(meas)",
"value": 2.438
},
{
"type": "R(pim)",
"value": 0.738
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.480
}
]
},
{
"resolution_limits": [71.600,7.470],
"number_observations": 3805,
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 64.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}