Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f7c8e50794479fe00c702f3311d2059",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.423,
"b": 41.359,
"c": 72.286,
"alpha": 90.00,
"beta": 104.63,
"gamma": 90.00
},
"wavelengths": [0.91770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.040,1.655],
"number_observations_unique": 29184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.660],
"number_observations": 9179,
"number_observations_unique": 1447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "R(meas)",
"value": 0.638
},
{
"type": "R(pim)",
"value": 0.250
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [32.040,9.070],
"number_observations": 1167,
"number_observations_unique": 195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 44.800
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}