Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a44252d892c73d4e2e1997c6e0ac854",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.996,
"b": 96.873,
"c": 58.076,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.040,1.690],
"number_observations": 173188,
"number_observations_unique": 26452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.690],
"number_observations": 6096,
"number_observations_unique": 1169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.817
},
{
"type": "R(meas)",
"value": 0.902
},
{
"type": "R(pim)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.760
}
]
},
{
"resolution_limits": [29.040,9.080],
"number_observations": 1232,
"number_observations_unique": 202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 52.600
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}