Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "86ed9ee825b66aba19b426150e164d0a",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 59.924,
"b": 59.924,
"c": 109.985,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [109.990,1.690],
"number_observations": 291636,
"number_observations_unique": 23241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.690],
"number_observations": 20285,
"number_observations_unique": 1677,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.811
},
{
"type": "R(meas)",
"value": 2.936
},
{
"type": "R(pim)",
"value": 0.836
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [109.990,7.560],
"number_observations": 3528,
"number_observations_unique": 336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}