Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "58f0f96771a83751c671dbd8302bcc98",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 184.184,
"b": 184.184,
"c": 184.184,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625,1.73937,1.74380],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [106.34,1.86],
"number_observations_unique": 22955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 10.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.96,1.86],
"number_observations_unique": 3272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.601
},
{
"type": "R(meas)",
"value": 0.651
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.8
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [2.11,2.00],
"number_observations_unique": 2649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.601
},
{
"type": "R(meas)",
"value": 0.652
},
{
"type": "R(pim)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [2.11,2.00],
"number_observations_unique": 2634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.653
},
{
"type": "R(meas)",
"value": 0.702
},
{
"type": "R(pim)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 12.2
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
}
]
}