Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3280a111391d01d22f2d38b79dcf96d",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.458,
"b": 71.458,
"c": 150.351,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.410,1.470],
"number_observations": 851257,
"number_observations_unique": 67179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.470],
"number_observations": 35940,
"number_observations_unique": 3233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.957
},
{
"type": "R(meas)",
"value": 1.001
},
{
"type": "R(pim)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [29.410,8.040],
"number_observations": 5790,
"number_observations_unique": 501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 79.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}