Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ff628fdc2bec0cca4c7ef9857782e9d1",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.268,
"b": 112.292,
"c": 62.413,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97628],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.470,1.200],
"number_observations_unique": 90209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 54165,
"number_observations_unique": 4419,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.179
},
{
"type": "R(meas)",
"value": 1.231
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.826
}
]
},
{
"resolution_limits": [45.470,6.570],
"number_observations": 7257,
"number_observations_unique": 633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 67.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}