Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "c434d80f3029418e95f42667b353de40",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.691,
"b": 88.691,
"c": 39.262,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77488],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.660,0.970],
"number_observations": 1211996,
"number_observations_unique": 178831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [0.990,0.970],
"number_observations": 58061,
"number_observations_unique": 8751,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.846
},
{
"type": "R(meas)",
"value": 2.004
},
{
"type": "R(pim)",
"value": 0.768
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.641
}
]
},
{
"resolution_limits": [39.660,5.310],
"number_observations": 7984,
"number_observations_unique": 1180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}