Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e459aff814577072edc25681cda97249",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.754,
"b": 95.754,
"c": 45.603,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92134],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.690,1.400],
"number_observations": 511561,
"number_observations_unique": 40788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 16972,
"number_observations_unique": 1996,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.358
},
{
"type": "R(meas)",
"value": 2.511
},
{
"type": "R(pim)",
"value": 0.855
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.386
}
]
},
{
"resolution_limits": [67.690,7.670],
"number_observations": 3275,
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 54.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
}
]
}