Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "93f1de676b92d6cbaab1378e187fdb17",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 169.648,
"b": 92.498,
"c": 237.691,
"alpha": 90.00,
"beta": 110.34,
"gamma": 90.00
},
"wavelengths": [0.97946,0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.619,3.35],
"number_observations_unique": 98507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 9.43
},
{
"type": "Completeness",
"value": 97.85
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.47,3.35],
"number_observations_unique": 9041,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.768
},
{
"type": "R(meas)",
"value": 1.927
},
{
"type": "R(pim)",
"value": 0.754
},
{
"type": "I/SigI",
"value": 0.97
},
{
"type": "Completeness",
"value": 91.11
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.530
}
]
},
{
"resolution_limits": [3.67,3.60],
"number_observations_unique": 4376,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.942
},
{
"type": "R(meas)",
"value": 2.100
},
{
"type": "R(pim)",
"value": 0.787
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 95.8
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.466
}
]
}
]
}