Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4daf027697a206bdd5be946fb8e8ed1",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.569,
"b": 82.569,
"c": 87.365,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97960,4.42801,4.27532],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.29,1.36],
"number_observations_unique": 74252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.1
},
{
"type": "Completeness",
"value": 99.97
},
{
"type": "Redundancy",
"value": 19.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.4,1.36],
"number_observations_unique": 5438,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.543
},
{
"type": "R(meas)",
"value": 3.480
},
{
"type": "R(pim)",
"value": 0.779
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 19.9
},
{
"type": "CC(1/2)",
"value": 0.519
}
]
},
{
"resolution_limits": [2.95,2.8],
"number_observations_unique": 1188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "R(meas)",
"value": 0.316
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 94.5
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.07,2.89],
"number_observations_unique": 14952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 93.6
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
}
]
}