Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "74600eaa23387ae2a948758d9aeb955a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.708,
"b": 68.447,
"c": 138.317,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.200,2.070],
"number_observations": 270765,
"number_observations_unique": 39775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.375
},
{
"type": "R(pim)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
"refln_shells": [
{
"resolution_limits": [2.130,2.070],
"number_observations": 22791,
"number_observations_unique": 3194,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.076
},
{
"type": "R(meas)",
"value": 3.315
},
{
"type": "R(pim)",
"value": 1.227
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.488
}
]
},
{
"resolution_limits": [69.200,8.790],
"number_observations": 3464,
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 35.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
}
]
}