Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "7db78a4c71f50b23245b41511982862f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.992,
"b": 101.643,
"c": 146.639,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.880,1.990],
"number_observations": 297759,
"number_observations_unique": 46064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.990],
"number_observations": 20608,
"number_observations_unique": 3319,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.912
},
{
"type": "R(meas)",
"value": 4.271
},
{
"type": "R(pim)",
"value": 1.690
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.222
}
]
},
{
"resolution_limits": [48.880,8.900],
"number_observations": 3633,
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 52.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}