Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6546ec49987d963b3dfff94eda3620af",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 68.470,
"b": 97.931,
"c": 70.302,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.570],
"number_observations_unique": 66716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.570],
"number_observations": 45576,
"number_observations_unique": 3285,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.008
},
{
"type": "R(meas)",
"value": 1.046
},
{
"type": "R(pim)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [48.970,8.600],
"number_observations": 5586,
"number_observations_unique": 481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}