Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7288cbf2143444f215527b754c927c1e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.315,
"b": 56.288,
"c": 101.930,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.0880,1.440],
"number_observations": 382322,
"number_observations_unique": 58029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.440],
"number_observations": 26731,
"number_observations_unique": 4097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.736
},
{
"type": "R(meas)",
"value": 0.797
},
{
"type": "R(pim)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.842
}
]
},
{
"resolution_limits": [29.090,6.440],
"number_observations": 4679,
"number_observations_unique": 750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 72.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}