Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ce7c4ecafcbbe6896c7553fbd8d8d967",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.348,
"b": 69.134,
"c": 57.087,
"alpha": 90.00,
"beta": 92.55,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.030,1.730],
"number_observations": 144460,
"number_observations_unique": 43318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.730],
"number_observations": 19501,
"number_observations_unique": 6311,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.008
},
{
"type": "R(meas)",
"value": 1.220
},
{
"type": "R(pim)",
"value": 0.679
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.419
}
]
},
{
"resolution_limits": [57.030,5.460],
"number_observations": 4778,
"number_observations_unique": 1432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}