Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "155daaed195224d739bb4ac9b8fb0c2c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 76.87,
"b": 203.72,
"c": 110.44,
"alpha": 90.00,
"beta": 109.71,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [103.970,2.870],
"number_observations": 267705,
"number_observations_unique": 70741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [2.930,2.870],
"number_observations_unique": 3776,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.035
},
{
"type": "R(meas)",
"value": 1.233
},
{
"type": "R(pim)",
"value": 0.662
},
{
"type": "Completeness",
"value": 79.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.650
}
]
},
{
"resolution_limits": [103.970,13.760],
"number_observations_unique": 616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}