Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "530fe6850b46cca7b872c9a4fa94907f",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.177,
"b": 97.067,
"c": 57.988,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.990,1.780],
"number_observations": 144026,
"number_observations_unique": 22291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.780],
"number_observations": 5575,
"number_observations_unique": 1034,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.064
},
{
"type": "R(meas)",
"value": 1.172
},
{
"type": "R(pim)",
"value": 0.480
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 78.300
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [28.990,8.900],
"number_observations": 1314,
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 59.300
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}