Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e9d471102cbc03474f7a54520e8395ca",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 183.83,
"b": 183.83,
"c": 183.83,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95372,1.73893,1.76116],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.46,1.20],
"number_observations_unique": 80466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.2
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 10.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.26,1.20],
"number_observations_unique": 11066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "R(meas)",
"value": 0.452
},
{
"type": "R(pim)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 92.9
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [1.79,1.70],
"number_observations_unique": 3347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 79.0
},
{
"type": "Redundancy",
"value": 2.5
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [1.95,1.85],
"number_observations_unique": 3165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.737
},
{
"type": "R(meas)",
"value": 0.854
},
{
"type": "R(pim)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 95.5
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
}
]
}