Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f2b533f42a7b7c8d9e7c37dcd7dcac6d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.836,
"b": 55.139,
"c": 84.088,
"alpha": 90.00,
"beta": 95.24,
"gamma": 90.00
},
"wavelengths": [0.96862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.74,1.92],
"number_observations_unique": 40470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [83.74,9.03],
"number_observations_unique": 433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 33.4
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.97,1.92],
"number_observations_unique": 2755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.605
},
{
"type": "R(meas)",
"value": 0.687
},
{
"type": "R(pim)",
"value": 0.320
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 8.4
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
}
]
}