Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02223e882275fe1db413ee3d8b8afb07",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 76.945,
"b": 76.945,
"c": 140.454,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.82,1.65],
"number_observations_unique": 51576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 15.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 10.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.68,1.65],
"number_observations_unique": 2505,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.082
},
{
"type": "R(meas)",
"value": 1.191
},
{
"type": "R(pim)",
"value": 0.496
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 11.0
},
{
"type": "CC(1/2)",
"value": 0.820
}
]
},
{
"resolution_limits": [46.82,9.04],
"number_observations_unique": 385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 36.2
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}