Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "0cc8070d4e9cd655e62ee7750f705a86",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.08,
"b": 83.08,
"c": 133.78,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.900,2.450],
"number_observations": 400802,
"number_observations_unique": 20243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.510,2.450],
"number_observations": 30936,
"number_observations_unique": 1466,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.616
},
{
"type": "R(meas)",
"value": 1.656
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [37.900,10.960],
"number_observations": 3390,
"number_observations_unique": 264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 53.800
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}