Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0725e20c7b9c172352c5c79e0ad0a69e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.543,
"b": 56.641,
"c": 63.956,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.000,1.470],
"number_observations": 141445,
"number_observations_unique": 33057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.470],
"number_observations": 6619,
"number_observations_unique": 1626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.754
},
{
"type": "R(meas)",
"value": 0.866
},
{
"type": "R(pim)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [33.000,8.050],
"number_observations": 925,
"number_observations_unique": 241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 49.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}