Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "920b3e4def2c103162791c386c90e125",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 150.842,
"b": 92.213,
"c": 115.858,
"alpha": 90.000,
"beta": 92.425,
"gamma": 90.000
},
"wavelengths": [1.11580],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.116494566,1.710],
"number_observations": 807018,
"number_observations_unique": 162397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations": 21467,
"number_observations_unique": 4859,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.174
},
{
"type": "R(meas)",
"value": 1.325
},
{
"type": "R(pim)",
"value": 0.603
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 56.800
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.502
}
]
},
{
"resolution_limits": [116.590,9.360],
"number_observations": 5538,
"number_observations_unique": 1114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 55.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}