Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47ef9c75c4be2ad29a07aa1ad7a88063",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 122.13,
"b": 114.83,
"c": 156.17,
"alpha": 90.00,
"beta": 92.16,
"gamma": 90.00
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.870,2.850],
"number_observations": 117939,
"number_observations_unique": 47035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [2.940,2.850],
"number_observations": 11372,
"number_observations_unique": 4432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.453
},
{
"type": "R(meas)",
"value": 0.563
},
{
"type": "R(pim)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [38.870,11.400],
"number_observations": 1799,
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 88.800
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}