Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9de466d3962ba8c9fb7b11162ec7e42f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 107.011,
"b": 129.025,
"c": 108.404,
"alpha": 90.000,
"beta": 90.129,
"gamma": 90.000
},
"wavelengths": [0.97626],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [107.011,2.978],
"number_observations_unique": 60001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [3.030,2.978],
"number_observations_unique": 2934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.680
},
{
"type": "R(meas)",
"value": 0.772
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 4.5
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [107.011,8.084],
"number_observations_unique": 3023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 15.7
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}