Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b7b39bcdeef9a8baf72955c9de8c818",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 34.913,
"b": 25.943,
"c": 57.642,
"alpha": 90.00,
"beta": 92.57,
"gamma": 90.00
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.790,1.130],
"number_observations_unique": 18593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.130],
"number_observations": 4615,
"number_observations_unique": 842,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.304
},
{
"type": "R(meas)",
"value": 2.547
},
{
"type": "R(pim)",
"value": 1.063
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.396
}
]
},
{
"resolution_limits": [28.790,6.190],
"number_observations": 656,
"number_observations_unique": 132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 42.600
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}