Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3620d0d4da72b31bc09d8b71b6c2bd1a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 63.41,
"b": 114.64,
"c": 187.87,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.210,3.220],
"number_observations_unique": 22909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [3.480,3.220],
"number_observations_unique": 4655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.890
},
{
"type": "R(meas)",
"value": 0.964
},
{
"type": "R(pim)",
"value": 0.367
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [38.210,8.520],
"number_observations_unique": 1305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}