Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da3f8dff3a10964a58ccf35209e78704",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.407,
"b": 71.407,
"c": 150.239,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.390,1.390],
"number_observations": 978162,
"number_observations_unique": 78939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.390],
"number_observations": 28636,
"number_observations_unique": 3854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.720
},
{
"type": "R(meas)",
"value": 0.774
},
{
"type": "R(pim)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [29.390,7.480],
"number_observations": 6719,
"number_observations_unique": 620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 36.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}