Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6342155b111e1d2c4a5cb510a07bb1dd",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 57.56,
"b": 57.56,
"c": 183.45,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.860,1.700],
"number_observations": 205175,
"number_observations_unique": 17537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 10529,
"number_observations_unique": 899,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.840
},
{
"type": "R(meas)",
"value": 1.922
},
{
"type": "R(pim)",
"value": 0.549
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.380
}
]
},
{
"resolution_limits": [45.860,9.000],
"number_observations": 1700,
"number_observations_unique": 158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 26.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}