Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e1d006e1a0109081123930c92332efd2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.668,
"b": 79.429,
"c": 89.540,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.440,1.220],
"number_observations": 778699,
"number_observations_unique": 132919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.250,1.220],
"number_observations": 39164,
"number_observations_unique": 9560,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.074
},
{
"type": "R(meas)",
"value": 1.233
},
{
"type": "R(pim)",
"value": 0.593
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.450
}
]
},
{
"resolution_limits": [79.440,5.460],
"number_observations": 10248,
"number_observations_unique": 1682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}