Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c207992132a739b79369d4353ad25daf",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.119,
"b": 125.104,
"c": 66.176,
"alpha": 90.00,
"beta": 99.45,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.160,1.850],
"number_observations": 147137,
"number_observations_unique": 41904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 9473,
"number_observations_unique": 2584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.783
},
{
"type": "R(meas)",
"value": 0.917
},
{
"type": "R(pim)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.663
}
]
},
{
"resolution_limits": [45.160,9.060],
"number_observations": 1099,
"number_observations_unique": 363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 32.200
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}