Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ae65785052f5a84ccecc254089241e51",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 88.554,
"b": 81.464,
"c": 105.665,
"alpha": 90.0,
"beta": 113.1,
"gamma": 90.0
},
"wavelengths": [1.07822],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [97.195,2.035],
"number_observations": 327039,
"number_observations_unique": 86979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.042,2.035],
"number_observations": 3400,
"number_observations_unique": 870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.752
},
{
"type": "R(pim)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.750
}
]
},
{
"resolution_limits": [97.195,9.444],
"number_observations": 3273,
"number_observations_unique": 924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}