Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "041f6869e42d27b45638636f52e5358d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 84.589,
"b": 48.797,
"c": 99.904,
"alpha": 90.000,
"beta": 111.259,
"gamma": 90.000
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.55,1.50],
"number_observations_unique": 60091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.9
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [46.55,8.22],
"number_observations_unique": 395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 39.5
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.53,1.50],
"number_observations_unique": 2966,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.573
},
{
"type": "R(meas)",
"value": 1.939
},
{
"type": "R(pim)",
"value": 1.119
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.666
}
]
}
]
}