Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f639d7b81ca3a51697aad29417d81021",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.734,
"b": 56.316,
"c": 102.505,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.210,2.690],
"number_observations": 60930,
"number_observations_unique": 9350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1386
},
{
"type": "R(meas)",
"value": 1.510
},
{
"type": "R(pim)",
"value": 0.589
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.420
}
]
},
"refln_shells": [
{
"resolution_limits": [2.760,2.690],
"number_observations": 3804,
"number_observations_unique": 623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.919
},
{
"type": "R(meas)",
"value": 1.004
},
{
"type": "R(pim)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.507
}
]
},
{
"resolution_limits": [29.210,12.040],
"number_observations": 735,
"number_observations_unique": 131,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.872
},
{
"type": "R(meas)",
"value": 2.037
},
{
"type": "R(pim)",
"value": 0.788
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.790
}
]
}
]
}