Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "6f30fbbb0d355a1b5f8a932d8c9bed13",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.676,
"b": 88.676,
"c": 39.500,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77488],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.340,1.000],
"number_observations": 1126202,
"number_observations_unique": 164517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,1.000],
"number_observations": 53490,
"number_observations_unique": 7994,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.863
},
{
"type": "R(meas)",
"value": 3.106
},
{
"type": "R(pim)",
"value": 1.188
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.374
}
]
},
{
"resolution_limits": [44.340,5.480],
"number_observations": 7172,
"number_observations_unique": 1070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 29.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}