Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8110dac073899a9f765e8da7e4c497b7",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 62.096,
"b": 76.700,
"c": 118.403,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.262,1.730],
"number_observations": 49510,
"number_observations_unique": 14151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 85.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.045,1.730],
"number_observations": 2087,
"number_observations_unique": 709,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.060
},
{
"type": "R(meas)",
"value": 1.301
},
{
"type": "R(pim)",
"value": 0.742
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 43.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [48.262,6.223],
"number_observations": 2475,
"number_observations_unique": 707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 41.000
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}