Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8bdb9848e71764e5548998e6997cd6f5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.20,
"b": 56.34,
"c": 101.59,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.380,1.620],
"number_observations": 268360,
"number_observations_unique": 41010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 21.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.620],
"number_observations": 17093,
"number_observations_unique": 2994,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.803
},
{
"type": "R(meas)",
"value": 0.885
},
{
"type": "R(pim)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
},
{
"resolution_limits": [37.380,7.240],
"number_observations": 3324,
"number_observations_unique": 537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 77.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}