Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e0ff13ed17adec3f346b7488f8efaf1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 36.728,
"b": 68.572,
"c": 69.549,
"alpha": 90.00,
"beta": 101.28,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.040,1.300],
"number_observations_unique": 82396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 20345,
"number_observations_unique": 3866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "R(meas)",
"value": 0.531
},
{
"type": "R(pim)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [36.020,7.120],
"number_observations": 2989,
"number_observations_unique": 533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 65.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}