Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "82fa2d10f04db0f3aa96324b6e0b1b08",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.367,
"b": 71.367,
"c": 150.747,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.390,1.710],
"number_observations": 557184,
"number_observations_unique": 42642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.710],
"number_observations": 26809,
"number_observations_unique": 2190,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.000
},
{
"type": "R(meas)",
"value": 1.044
},
{
"type": "R(pim)",
"value": 0.292
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [29.390,8.910],
"number_observations": 4201,
"number_observations_unique": 376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 63.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}