Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6ec749fa1345c2e732a2ed31f39a1e12",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.590,
"b": 43.796,
"c": 78.438,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.220,1.500],
"number_observations": 181504,
"number_observations_unique": 20855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 8787,
"number_observations_unique": 981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.857
},
{
"type": "R(meas)",
"value": 0.910
},
{
"type": "R(pim)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [39.220,8.220],
"number_observations": 1059,
"number_observations_unique": 166,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 56.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}