Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "399e91a5d9f4a219581b23f8087de7d5",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.323,
"b": 71.323,
"c": 196.558,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.050,1.690],
"number_observations": 1136676,
"number_observations_unique": 57656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "R(meas)",
"value": 0.418
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.690],
"number_observations": 165316,
"number_observations_unique": 8273,
"quality_factors": [
{
"type": "R(merge)",
"value": 8.794
},
{
"type": "R(meas)",
"value": 9.022
},
{
"type": "R(pim)",
"value": 2.002
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.324
}
]
},
{
"resolution_limits": [67.050,5.350],
"number_observations": 34070,
"number_observations_unique": 2084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}