Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "380f097f3181d50736cdeb14bfb97cd2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.475,
"b": 27.180,
"c": 56.076,
"alpha": 90.00,
"beta": 100.28,
"gamma": 90.00
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.200,1.240],
"number_observations": 150299,
"number_observations_unique": 26251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 76.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.240],
"number_observations": 358,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.745
},
{
"type": "R(meas)",
"value": 1.027
},
{
"type": "R(pim)",
"value": 0.704
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 8.500
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.620
}
]
},
{
"resolution_limits": [55.200,5.550],
"number_observations": 2649,
"number_observations_unique": 425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 37.700
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}