Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "030186a549a851e5d3775304bdd4db0d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 36.142,
"b": 59.824,
"c": 36.109,
"alpha": 90.000,
"beta": 112.131,
"gamma": 90.000
},
"wavelengths": [1.28249],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.82,1.500],
"number_observations_unique": 21381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 93.8
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [59.82,8.22],
"number_observations_unique": 155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 18.3
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.53,1.50],
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.967
},
{
"type": "R(meas)",
"value": 1.282
},
{
"type": "R(pim)",
"value": 0.835
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 66.8
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.261
}
]
}
]
}