Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a640ad1bfe72bca55c91a49779eead9c",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.407,
"b": 71.407,
"c": 150.800,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.410,1.290],
"number_observations": 1141539,
"number_observations_unique": 98239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.290],
"number_observations": 22241,
"number_observations_unique": 4550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.721
},
{
"type": "R(meas)",
"value": 0.805
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
},
{
"resolution_limits": [29.410,7.070],
"number_observations": 8675,
"number_observations_unique": 729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 45.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}