Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "94e016f2452d7a12a05551b1e05ab38d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.040,
"b": 55.576,
"c": 100.866,
"alpha": 90.00,
"beta": 104.75,
"gamma": 90.00
},
"wavelengths": [0.87290],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.290,2.400],
"number_observations_unique": 25401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations_unique": 2623,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.058
},
{
"type": "R(meas)",
"value": 2.230
},
{
"type": "R(pim)",
"value": 0.851
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.412
}
]
},
{
"resolution_limits": [48.290,8.980],
"number_observations_unique": 522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}