Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9d5d4728c8b2f98e82f5c0677c85c8e9",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 84.971,
"b": 84.971,
"c": 183.313,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.55,2.7],
"number_observations_unique": 21791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.8
},
{
"type": "CC(1/2)",
"value": 0.994
},
{
"type": "CompletenessAno",
"value": 99.9
},
{
"type": "RedundancyAno",
"value": 4.5
}
]
},
"refln_shells": [
{
"resolution_limits": [2.83,2.7],
"number_observations_unique": 2874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.682
},
{
"type": "R(meas)",
"value": 0.722
},
{
"type": "R(pim)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 9.4
},
{
"type": "CC(1/2)",
"value": 0.891
},
{
"type": "CompletenessAno",
"value": 100
},
{
"type": "RedundancyAno",
"value": 4.7
}
]
},
{
"resolution_limits": [30.55,8.95],
"number_observations_unique": 667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 24.5
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.992
},
{
"type": "CompletenessAno",
"value": 97.8
},
{
"type": "RedundancyAno",
"value": 3
}
]
}
]
}