Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "653035a0a8e535cb2c474d3d1dc4fe5a",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 86.13,
"b": 100.18,
"c": 38.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54179],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.780,1.630],
"number_observations": 147330,
"number_observations_unique": 41807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.630],
"number_observations": 7005,
"number_observations_unique": 1999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "R(meas)",
"value": 0.549
},
{
"type": "R(pim)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.798
}
]
},
{
"resolution_limits": [28.780,8.930],
"number_observations": 927,
"number_observations_unique": 313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 24.700
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}