Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ced40f8930bd6a30d88cc1e48e55bde6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.311,
"b": 33.777,
"c": 60.078,
"alpha": 90.00,
"beta": 95.67,
"gamma": 90.00
},
"wavelengths": [0.92208],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.130,1.320],
"number_observations": 199392,
"number_observations_unique": 34338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.320],
"number_observations": 3734,
"number_observations_unique": 1236,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.431
},
{
"type": "R(meas)",
"value": 1.755
},
{
"type": "R(pim)",
"value": 0.983
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 71.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.305
}
]
},
{
"resolution_limits": [37.130,7.230],
"number_observations": 1424,
"number_observations_unique": 245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 62.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}