Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a96ac086d59a8455ba30be10cc490b03",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.538,
"b": 96.519,
"c": 57.830,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.920,1.840],
"number_observations": 128010,
"number_observations_unique": 20094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.840],
"number_observations": 6490,
"number_observations_unique": 1134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.778
},
{
"type": "R(meas)",
"value": 0.850
},
{
"type": "R(pim)",
"value": 0.335
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [28.920,8.850],
"number_observations": 1304,
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 40.100
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}