Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bda6148b25c299d82d5f210a7069472d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.459,
"b": 56.161,
"c": 101.690,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.020,1.800],
"number_observations": 199135,
"number_observations_unique": 30229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 14323,
"number_observations_unique": 2163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.850
},
{
"type": "R(meas)",
"value": 0.921
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [29.020,8.040],
"number_observations": 2367,
"number_observations_unique": 395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 72.100
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}