Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "478a9f71dbc0157d609e6aa0a2bb910b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.21,
"b": 128.08,
"c": 71.45,
"alpha": 90.00,
"beta": 110.67,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.85,1.64],
"number_observations_unique": 146091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.25
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.9993
}
]
},
"refln_shells": [
{
"resolution_limits": [66.91,4.45],
"number_observations_unique": 7331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.0
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.67,1.64],
"number_observations_unique": 7322,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.429
},
{
"type": "R(meas)",
"value": 1.545
},
{
"type": "R(pim)",
"value": 0.583
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.526
}
]
}
]
}