Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0095bee6f5986c0f9c8f5dff39aa5e63",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 92.931,
"b": 97.410,
"c": 107.600,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.240,1.6760],
"number_observations_unique": 54653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 18443,
"number_observations_unique": 2678,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.196
},
{
"type": "R(meas)",
"value": 1.293
},
{
"type": "R(pim)",
"value": 0.484
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.647
}
]
},
{
"resolution_limits": [67.240,9.030],
"number_observations": 2793,
"number_observations_unique": 411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 41.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}