Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d6d93df2bde94146855a2b2a17097a3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.723,
"b": 102.373,
"c": 168.993,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97957],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.470,2.700],
"number_observations": 529506,
"number_observations_unique": 38760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.820,2.700],
"number_observations": 61221,
"number_observations_unique": 4666,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.649
},
{
"type": "R(meas)",
"value": 2.757
},
{
"type": "R(pim)",
"value": 0.757
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.531
}
]
},
{
"resolution_limits": [29.470,9.350],
"number_observations": 12610,
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 63.100
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}