Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b00727a9fe143f6061fb1afec50f524",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.178,
"b": 157.022,
"c": 107.407,
"alpha": 90.00,
"beta": 94.61,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [107.059,2.039],
"number_observations": 328715,
"number_observations_unique": 94159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.177,2.039],
"number_observations": 17084,
"number_observations_unique": 4709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.661
},
{
"type": "R(meas)",
"value": 0.777
},
{
"type": "R(pim)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 64.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.660
}
]
},
{
"resolution_limits": [107.059,6.008],
"number_observations": 16312,
"number_observations_unique": 4707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}