Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a558abc113d2e9d22a4f4ab144c40ae8",
"space_group_name": "P 1",
"unit_cell": {
"a": 48.998,
"b": 59.703,
"c": 80.195,
"alpha": 79.38,
"beta": 81.67,
"gamma": 75.86
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.250,1.820],
"number_observations": 130622,
"number_observations_unique": 74407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.820],
"number_observations": 9595,
"number_observations_unique": 5484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "R(meas)",
"value": 0.802
},
{
"type": "R(pim)",
"value": 0.567
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.651
}
]
},
{
"resolution_limits": [47.250,8.140],
"number_observations": 1600,
"number_observations_unique": 856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 30.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}