Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c3b09738a5637b91ac993358c1fea379",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.725,
"b": 95.725,
"c": 45.653,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.840,1.380],
"number_observations": 525291,
"number_observations_unique": 42498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.380],
"number_observations": 16585,
"number_observations_unique": 2054,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.309
},
{
"type": "R(meas)",
"value": 2.467
},
{
"type": "R(pim)",
"value": 0.857
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.407
}
]
},
{
"resolution_limits": [33.840,7.560],
"number_observations": 3383,
"number_observations_unique": 283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 77.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}