Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "26af930062f05a74466eb4ddf9d0bf8a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.375,
"b": 56.424,
"c": 101.806,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.080,1.580],
"number_observations": 292272,
"number_observations_unique": 42716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 19854,
"number_observations_unique": 3055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.789
},
{
"type": "R(meas)",
"value": 0.858
},
{
"type": "R(pim)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [29.080,7.060],
"number_observations": 3614,
"number_observations_unique": 569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 64.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}