Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "dc187267324e74128dc74a053fc7fd85",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 79.85,
"b": 79.85,
"c": 70.36,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88560],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.60,1.90],
"number_observations_unique": 18155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [19.60,8.91],
"number_observations_unique": 183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 33.4
},
{
"type": "Completeness",
"value": 86.9
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.94,1.90],
"number_observations_unique": 1186,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.561
},
{
"type": "R(meas)",
"value": 1.846
},
{
"type": "R(pim)",
"value": 0.946
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.557
}
]
}
]
}