Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f355eebfb42d5310a5c932a4ae5d014",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.78,
"b": 43.84,
"c": 55.80,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.920,1.550],
"number_observations": 100667,
"number_observations_unique": 15017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 29.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 4512,
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [32.920,8.490],
"number_observations": 588,
"number_observations_unique": 119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 50.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}