Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e001826b75902ac1e2170f9da777037a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 126.907,
"b": 84.648,
"c": 87.762,
"alpha": 90.00,
"beta": 131.03,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.210,1.670],
"number_observations": 563706,
"number_observations_unique": 80611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.670],
"number_observations": 83394,
"number_observations_unique": 11736,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.790
},
{
"type": "R(meas)",
"value": 4.091
},
{
"type": "R(pim)",
"value": 1.527
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.402
}
]
},
{
"resolution_limits": [66.210,5.290],
"number_observations": 17800,
"number_observations_unique": 2622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}