Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7e0fdf10509bbc834cfe250ffc5de32c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 120.634,
"b": 48.293,
"c": 82.692,
"alpha": 90.00,
"beta": 123.85,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.500,1.550],
"number_observations_unique": 57543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 30739,
"number_observations_unique": 2777,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.550
},
{
"type": "R(meas)",
"value": 1.625
},
{
"type": "R(pim)",
"value": 0.482
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.660
}
]
},
{
"resolution_limits": [43.500,8.490],
"number_observations": 4016,
"number_observations_unique": 384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 48.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}