Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd2c0538ba16ae9ea38f7a5bbee967bf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.43,
"b": 79.19,
"c": 89.29,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.030,1.550],
"number_observations": 418795,
"number_observations_unique": 64873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 27686,
"number_observations_unique": 4725,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.637
},
{
"type": "R(meas)",
"value": 1.800
},
{
"type": "R(pim)",
"value": 0.739
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.598
}
]
},
{
"resolution_limits": [49.030,6.930],
"number_observations": 5102,
"number_observations_unique": 837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}