Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72e61c57fc152295106e55b65e69b1e0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 98.100,
"b": 133.161,
"c": 129.586,
"alpha": 90.00,
"beta": 94.46,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.490,2.850],
"number_observations_unique": 77245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(meas)",
"value": 0.361
},
{
"type": "R(pim)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 5.10
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [2.910,2.850],
"number_observations_unique": 4537,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.752
},
{
"type": "R(meas)",
"value": 1.887
},
{
"type": "R(pim)",
"value": 0.697
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.625
}
]
},
{
"resolution_limits": [65.490,14.250],
"number_observations_unique": 642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}