Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fb2f28061416d624d8d0153c86bedc85",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.623,
"b": 71.623,
"c": 150.799,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.480,1.340],
"number_observations": 1112591,
"number_observations_unique": 88771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 36139,
"number_observations_unique": 4296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.804
},
{
"type": "R(meas)",
"value": 0.856
},
{
"type": "R(pim)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [29.480,7.210],
"number_observations": 8143,
"number_observations_unique": 684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 66.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}