Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4df9b385d100554273e48ef8962f5f1f",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 62.325,
"b": 62.325,
"c": 167.629,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.11,2.400],
"number_observations_unique": 13698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 14950,
"number_observations_unique": 1399,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.791
},
{
"type": "R(meas)",
"value": 1.881
},
{
"type": "R(pim)",
"value": 0.570
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
},
{
"resolution_limits": [44.070,8.980],
"number_observations": 2777,
"number_observations_unique": 329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 43.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}