Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e233f639f5d1c3ec7a34b001d7b38b9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 152.139,
"b": 62.440,
"c": 143.409,
"alpha": 90.000,
"beta": 118.191,
"gamma": 90.000
},
"wavelengths": [1.07252],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.200,1.340],
"number_observations": 724964,
"number_observations_unique": 261282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.340],
"number_observations": 67722,
"number_observations_unique": 25496,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.023
},
{
"type": "R(meas)",
"value": 1.263
},
{
"type": "R(pim)",
"value": 0.731
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.388
}
]
},
{
"resolution_limits": [48.200,5.190],
"number_observations": 13044,
"number_observations_unique": 4627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 32.800
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}