Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b74b3b6f52d769c6b41d9c2b28dce3d5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.029,
"b": 56.270,
"c": 101.593,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.020,1.670],
"number_observations": 244254,
"number_observations_unique": 37054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.670],
"number_observations": 17737,
"number_observations_unique": 2669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.853
},
{
"type": "R(meas)",
"value": 0.924
},
{
"type": "R(pim)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [29.020,7.480],
"number_observations": 2975,
"number_observations_unique": 492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 82.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}