Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "007d532d4457a0e6f03e9d418afbf315",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.037,
"b": 101.890,
"c": 146.567,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11581],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.860,1.970],
"number_observations": 307998,
"number_observations_unique": 47442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 20514,
"number_observations_unique": 3303,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.322
},
{
"type": "R(meas)",
"value": 2.531
},
{
"type": "R(pim)",
"value": 0.991
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.319
}
]
},
{
"resolution_limits": [48.860,9.040],
"number_observations": 3501,
"number_observations_unique": 590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 65.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}