Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e66b951cb4d9d3f3d192851bd8cb4674",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.015,
"b": 71.015,
"c": 196.333,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [98.150,1.450],
"number_observations": 2169581,
"number_observations_unique": 89854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.450],
"number_observations": 74545,
"number_observations_unique": 4499,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.057
},
{
"type": "R(meas)",
"value": 5.218
},
{
"type": "R(pim)",
"value": 1.271
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.325
}
]
},
{
"resolution_limits": [98.150,7.810],
"number_observations": 14705,
"number_observations_unique": 722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 54.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}