Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e6ce965219827852920ec2d2f99153f",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 70.190,
"b": 70.190,
"c": 85.662,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.940,1.660],
"number_observations": 617509,
"number_observations_unique": 25993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.660],
"number_observations": 16745,
"number_observations_unique": 1252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.783
},
{
"type": "R(meas)",
"value": 0.816
},
{
"type": "R(pim)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.878
}
]
},
{
"resolution_limits": [42.940,9.090],
"number_observations": 2690,
"number_observations_unique": 206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 30.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}