Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2772530906795637c7c600fb8ded7cd5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 103.070,
"b": 134.103,
"c": 194.955,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.424,3.170],
"number_observations": 123364,
"number_observations_unique": 46508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.560
},
{
"type": "R(meas)",
"value": 0.614
},
{
"type": "R(pim)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
},
"refln_shells": [
{
"resolution_limits": [3.390,3.170],
"number_observations": 17116,
"number_observations_unique": 3407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.934
},
{
"type": "R(meas)",
"value": 1.037
},
{
"type": "R(pim)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.350
}
]
},
{
"resolution_limits": [45.850,8.960],
"number_observations": 5589,
"number_observations_unique": 1032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.481
},
{
"type": "R(meas)",
"value": 0.529
},
{
"type": "R(pim)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.739
}
]
}
]
}