Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de564f12ff280e771c554f71e42d3945",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.112,
"b": 79.273,
"c": 112.214,
"alpha": 90.00,
"beta": 94.72,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.670,2.000],
"number_observations": 412825,
"number_observations_unique": 75801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,2.000],
"number_observations": 24799,
"number_observations_unique": 4447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.809
},
{
"type": "R(meas)",
"value": 0.894
},
{
"type": "R(pim)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.593
}
]
},
{
"resolution_limits": [64.670,10.000],
"number_observations": 3334,
"number_observations_unique": 651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}