Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a570fb57deaef0c0c88feb1bb1874e0c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.362,
"b": 57.143,
"c": 60.996,
"alpha": 90.00,
"beta": 110.42,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.010],
"number_observations_unique": 19131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
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"number_observations_unique": 1857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
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}
]
},
{
"resolution_limits": [2.170,2.080],
"number_observations_unique": 1904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
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}
]
},
{
"resolution_limits": [2.260,2.170],
"number_observations_unique": 1924,
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
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}
]
},
{
"resolution_limits": [2.380,2.260],
"number_observations_unique": 1892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
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}
]
},
{
"resolution_limits": [2.530,2.380],
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"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
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}
]
},
{
"resolution_limits": [2.730,2.530],
"number_observations_unique": 1904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
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}
]
},
{
"resolution_limits": [3.000,2.730],
"number_observations_unique": 1930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
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}
]
},
{
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"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [4.330,3.440],
"number_observations_unique": 1921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
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}
]
},
{
"resolution_limits": [50.000,4.330],
"number_observations_unique": 1974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
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}
]
}
]
}