Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4dec1040663e87d327b2f76ddfa43cfc",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 123.957,
"b": 123.957,
"c": 40.872,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.770,1.650],
"number_observations": 489321,
"number_observations_unique": 43468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 29.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations": 34964,
"number_observations_unique": 3164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.827
},
{
"type": "R(meas)",
"value": 0.866
},
{
"type": "R(pim)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [29.770,7.380],
"number_observations": 6056,
"number_observations_unique": 536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 95.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}