Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa42d47b1f8b3b9e6201324cc5b3e499",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 30.769,
"b": 77.323,
"c": 101.905,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.550,1.470],
"number_observations": 553859,
"number_observations_unique": 42553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.470],
"number_observations": 23644,
"number_observations_unique": 1939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.713
},
{
"type": "R(meas)",
"value": 0.744
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [42.550,8.030],
"number_observations": 3337,
"number_observations_unique": 324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 36.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}