Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "73e17de7d3761209bd3efdb7af4c590b",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 102.534,
"b": 199.623,
"c": 61.934,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.660,2.230],
"number_observations": 3733279,
"number_observations_unique": 62970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 59.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.350,2.230],
"number_observations_unique": 9044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 75.194
},
{
"type": "R(pim)",
"value": 10.243
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 52.000
},
{
"type": "CC(1/2)",
"value": 0.251
}
]
},
{
"resolution_limits": [49.660,7.050],
"number_observations_unique": 2199,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 47.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}