Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d5c0ce38910f9919170ac0c0afd2d120",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 47.393,
"b": 47.393,
"c": 127.164,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.41,1.42],
"number_observations_unique": 14194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 24.6
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 20.6
},
{
"type": "CC(1/2)",
"value": 1
}
]
},
"refln_shells": [
{
"resolution_limits": [1.46,1.42],
"number_observations_unique": 1022,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.984
},
{
"type": "R(meas)",
"value": 5.183
},
{
"type": "R(pim)",
"value": 1.403
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 13.2
},
{
"type": "CC(1/2)",
"value": 0.445
}
]
},
{
"resolution_limits": [44.41,6.35],
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 72.7
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 19.0
},
{
"type": "CC(1/2)",
"value": 1
}
]
}
]
}