Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "37a64134a1be4d237499a4880e28c50e",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.716,
"b": 95.716,
"c": 45.745,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.250,1.230],
"number_observations": 583818,
"number_observations_unique": 55780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.250,1.230],
"number_observations": 4322,
"number_observations_unique": 1658,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.182
},
{
"type": "R(meas)",
"value": 1.463
},
{
"type": "R(pim)",
"value": 0.840
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 55.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.313
}
]
},
{
"resolution_limits": [31.250,6.730],
"number_observations": 5047,
"number_observations_unique": 403,
"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": 65.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
"value": 0.966
}
]
}
]
}