Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "09ca9daa8dd4e1ace01accc98788cad5",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 174.480,
"b": 174.480,
"c": 72.541,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.240,2.230],
"number_observations": 156940,
"number_observations_unique": 20098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.350,2.230],
"number_observations": 20049,
"number_observations_unique": 2605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.882
},
{
"type": "R(meas)",
"value": 0.945
},
{
"type": "R(pim)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [87.240,7.060],
"number_observations": 5182,
"number_observations_unique": 696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 58.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}