Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f4b353162ea6ae05eaffab29e741292f",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 108.50,
"b": 113.26,
"c": 166.71,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95070],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.95,2.24],
"number_observations_unique": 46701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 17.2
},
{
"type": "Completeness",
"value": 94.1
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [46.95,8.96],
"number_observations_unique": 836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 33.3
},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.31,2.24],
"number_observations_unique": 3124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "R(pim)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 69.2
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
}
]
}