Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "187c330f66f3812cd3fb1eef86461758",
"space_group_name": "P 1",
"unit_cell": {
"a": 76.710,
"b": 90.763,
"c": 93.034,
"alpha": 89.71,
"beta": 80.58,
"gamma": 75.77
},
"wavelengths": [0.97970],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.200],
"number_observations_unique": 118866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations_unique": 5841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "R(pim)",
"value": 0.144
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [4.140,3.760],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "R(meas)",
"value": 0.012
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.740,4.140],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.008
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.970,4.740],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.008
},
{
"type": "R(meas)",
"value": 0.009
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,5.970],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.008
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}