Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0f1fde8328e5c0a8f5276704be7f14fe",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.71,
"b": 67.71,
"c": 166.35,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96880],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.920,1.750],
"number_observations": 213674,
"number_observations_unique": 23694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 11745,
"number_observations_unique": 1278,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.405
},
{
"type": "R(meas)",
"value": 1.485
},
{
"type": "R(pim)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [33.920,9.090],
"number_observations": 1583,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}