Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f44a7e5352522b1142d830ef9344dad0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.163,
"b": 71.347,
"c": 220.185,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97623],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [110.090,2.200],
"number_observations": 230237,
"number_observations_unique": 44950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 20094,
"number_observations_unique": 3864,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.550
},
{
"type": "R(meas)",
"value": 1.731
},
{
"type": "R(pim)",
"value": 0.762
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.355
}
]
},
{
"resolution_limits": [110.090,8.800],
"number_observations": 3775,
"number_observations_unique": 832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}