Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6fdc97619651160dd0d8146d70040e7a",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 46.972,
"b": 46.972,
"c": 126.600,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.360,1.670],
"number_observations_unique": 18070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations": 7337,
"number_observations_unique": 506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.856
},
{
"type": "R(meas)",
"value": 0.887
},
{
"type": "R(pim)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
},
{
"resolution_limits": [19.360,8.990],
"number_observations": 509,
"number_observations_unique": 70,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 61.000
},
{
"type": "Completeness",
"value": 71.400
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}