Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8e65f0b7e3dd6dc3fec6256c8bcaf212",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.592,
"b": 97.340,
"c": 208.307,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [208.310,2.650],
"number_observations": 2317578,
"number_observations_unique": 30304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 76.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.780,2.650],
"number_observations": 264311,
"number_observations_unique": 3968,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.877
},
{
"type": "R(meas)",
"value": 3.907
},
{
"type": "R(pim)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 66.600
},
{
"type": "CC(1/2)",
"value": 0.692
}
]
},
{
"resolution_limits": [208.310,8.790],
"number_observations": 66926,
"number_observations_unique": 967,
"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",
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},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
"value": 69.200
},
{
"type": "CC(1/2)",
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}
]
}
]
}