Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "76322c474f2e2f876fc6fbc8523bf1ed",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.241,
"b": 71.241,
"c": 150.307,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.330,1.370],
"number_observations": 987962,
"number_observations_unique": 81661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.370],
"number_observations": 25868,
"number_observations_unique": 4084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.713
},
{
"type": "R(meas)",
"value": 0.776
},
{
"type": "R(pim)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [29.330,7.260],
"number_observations": 7301,
"number_observations_unique": 665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 39.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}