Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "16f5bb27831b3755b2c5600d153ce346",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.336,
"b": 80.753,
"c": 110.709,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.330,1.900],
"number_observations": 365840,
"number_observations_unique": 42888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 21514,
"number_observations_unique": 2590,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.276
},
{
"type": "R(meas)",
"value": 1.358
},
{
"type": "R(pim)",
"value": 0.457
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.595
}
]
},
{
"resolution_limits": [48.330,8.930],
"number_observations": 3456,
"number_observations_unique": 487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}