Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2fefa7127a68d35520b45b6e381634a4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.313,
"b": 47.023,
"c": 43.253,
"alpha": 90.00,
"beta": 92.19,
"gamma": 90.00
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.020,1.040],
"number_observations_unique": 153886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.040],
"number_observations_unique": 3890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "R(meas)",
"value": 0.564
},
{
"type": "R(pim)",
"value": 0.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [47.020,5.710],
"number_observations_unique": 498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}