Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "761c6545bfd37b0e53c837324dce7e27",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.342,
"b": 71.342,
"c": 196.573,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.680,1.810],
"number_observations": 564576,
"number_observations_unique": 47328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.810],
"number_observations": 32581,
"number_observations_unique": 2750,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.259
},
{
"type": "R(meas)",
"value": 3.404
},
{
"type": "R(pim)",
"value": 0.975
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.435
}
]
},
{
"resolution_limits": [35.680,9.060],
"number_observations": 4056,
"number_observations_unique": 473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 33.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}