Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4bfa7133198a8822c4309eb73bfdf150",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 95.793,
"b": 95.793,
"c": 95.793,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.740,1.750],
"number_observations": 239203,
"number_observations_unique": 29835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 10589,
"number_observations_unique": 1729,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.751
},
{
"type": "R(meas)",
"value": 1.916
},
{
"type": "R(pim)",
"value": 0.771
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.455
}
]
},
{
"resolution_limits": [67.740,8.920],
"number_observations": 3292,
"number_observations_unique": 263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 47.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}