Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc8fd34df3933df27b90dbb64fe693ed",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 62.273,
"b": 76.568,
"c": 118.082,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.244,2.131],
"number_observations": 96445,
"number_observations_unique": 10775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.363,2.131],
"number_observations": 1844,
"number_observations_unique": 539,
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 54.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
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}
]
},
{
"resolution_limits": [64.244,6.886],
"number_observations": 4906,
"number_observations_unique": 538,
"quality_factors": [
{
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},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
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},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
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}
]
}
]
}