Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0bed1ab1601689bac99d5880a2bb8d02",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 49.04,
"b": 49.04,
"c": 195.25,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.81,1.68],
"number_observations_unique": 32015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 21.4
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [48.81,9.05],
"number_observations_unique": 278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 54.5
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 8.6
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.71,1.68],
"number_observations_unique": 1470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.823
},
{
"type": "R(meas)",
"value": 0.937
},
{
"type": "R(pim)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 90.5
},
{
"type": "Redundancy",
"value": 8.0
},
{
"type": "CC(1/2)",
"value": 0.734
}
]
}
]
}