Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc892768e1b582dda458a64f36db8667",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 332.314,
"b": 72.612,
"c": 79.675,
"alpha": 90.00,
"beta": 91.87,
"gamma": 90.00
},
"wavelengths": [0.92013],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.01,2.250],
"number_observations_unique": 90407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.250],
"number_observations": 22959,
"number_observations_unique": 4390,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.178
},
{
"type": "R(meas)",
"value": 1.311
},
{
"type": "R(pim)",
"value": 0.565
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.504
}
]
},
{
"resolution_limits": [49.010,12.320],
"number_observations": 4989,
"number_observations_unique": 596,
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}