Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b5907c3787f6309cb2290b99abcf7be5",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 144.397,
"b": 144.397,
"c": 113.950,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.71237],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.200,1.99],
"number_observations_unique": 30650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 18.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 36643,
"number_observations_unique": 2229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "R(meas)",
"value": 0.567
},
{
"type": "R(pim)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 16.400
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [84.200,8.940],
"number_observations": 7734,
"number_observations_unique": 387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 61.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}