Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d6b0cdaa9d8937916e867bcc6ac4209f",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 82.106,
"b": 82.106,
"c": 237.927,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.74,2.63],
"number_observations_unique": 25056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 9.9
},
{
"type": "CC(1/2)",
"value": 0.991
},
{
"type": "CompletenessAno",
"value": 99.9
},
{
"type": "RedundancyAno",
"value": 5.2
}
]
},
"refln_shells": [
{
"resolution_limits": [2.76,2.63],
"number_observations_unique": 3266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.931
},
{
"type": "R(meas)",
"value": 0.98
},
{
"type": "R(pim)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.7
},
{
"type": "CC(1/2)",
"value": 0.743
},
{
"type": "CompletenessAno",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 5.5
}
]
},
{
"resolution_limits": [29.74,8.72],
"number_observations_unique": 743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.9
},
{
"type": "Completeness",
"value": 93
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.994
},
{
"type": "CompletenessAno",
"value": 96.7
},
{
"type": "RedundancyAno",
"value": 3.5
}
]
}
]
}