Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f9da5f57bbcac773842ef49455b95365",
"space_group_name": "P 62 2 2",
"unit_cell": {
"a": 97.931,
"b": 97.931,
"c": 139.954,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97623],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.800,2.350],
"number_observations_unique": 17416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.369
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 18.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.480,2.350],
"number_observations": 47644,
"number_observations_unique": 2437,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.126
},
{
"type": "R(meas)",
"value": 2.183
},
{
"type": "R(pim)",
"value": 0.490
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.600
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [84.800,7.440],
"number_observations": 9791,
"number_observations_unique": 654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}