Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0889235566f5060844f5d28e22c3d56e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 75.294,
"b": 98.861,
"c": 146.327,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.28900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.900],
"number_observations": 270270,
"number_observations_unique": 43411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations_unique": 2155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.176
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [3.580,3.250],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.090,3.580],
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.160,4.090],
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,5.160],
"quality_factors": [
{
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"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}