Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7db2ff7939559161c1db6e27c0d9c1d2",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 101.204,
"b": 101.204,
"c": 50.317,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [71.562,2.285],
"number_observations": 187130,
"number_observations_unique": 12259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 15.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.324,2.285],
"number_observations": 8625,
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.230
},
{
"type": "R(meas)",
"value": 2.313
},
{
"type": "R(pim)",
"value": 0.604
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.511
}
]
},
{
"resolution_limits": [71.562,6.201],
"number_observations": 9195,
"number_observations_unique": 706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 47.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}