Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59acd7242e450ac9f076ad4eb2d0fd81",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 4.78,
"b": 18.60,
"c": 70.80,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.02510],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.400,1.900],
"number_observations": 1380,
"number_observations_unique": 548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 5.650
},
{
"type": "Completeness",
"value": 82.900
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.130,1.900],
"number_observations": 221,
"number_observations_unique": 115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 3.650
},
{
"type": "Completeness",
"value": 64.600
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [2.450,2.130],
"number_observations": 382,
"number_observations_unique": 153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
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},
{
"type": "I/SigI",
"value": 4.770
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.010,2.450],
"number_observations": 316,
"number_observations_unique": 111,
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "R(meas)",
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},
{
"type": "I/SigI",
"value": 5.580
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [4.250,3.010],
"number_observations": 306,
"number_observations_unique": 110,
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "R(meas)",
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},
{
"type": "I/SigI",
"value": 7.840
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [35.400,4.250],
"number_observations": 155,
"number_observations_unique": 59,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
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},
{
"type": "I/SigI",
"value": 7.920
},
{
"type": "Completeness",
"value": 81.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}