Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c7b608d1badd1026e2ba2ae48b87e5b",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.39,
"b": 95.39,
"c": 45.70,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.720,1.330],
"number_observations": 547600,
"number_observations_unique": 47236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.330],
"number_observations": 11176,
"number_observations_unique": 2274,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.524
},
{
"type": "R(meas)",
"value": 1.711
},
{
"type": "R(pim)",
"value": 0.748
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.337
}
]
},
{
"resolution_limits": [33.720,7.290],
"number_observations": 3807,
"number_observations_unique": 314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 69.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}