Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02ddaca56bad76748e4ac6560da7f2fe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.239,
"b": 56.316,
"c": 101.846,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.070,1.610],
"number_observations": 274573,
"number_observations_unique": 39447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.610],
"number_observations": 17118,
"number_observations_unique": 2633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.800
},
{
"type": "R(meas)",
"value": 0.870
},
{
"type": "R(pim)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 86.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [29.070,7.190],
"number_observations": 3426,
"number_observations_unique": 543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 84.200
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}