Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ccfe35850990a3a6b94aeb4851e891b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.392,
"b": 62.792,
"c": 74.415,
"alpha": 90.00,
"beta": 126.49,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.970,1.790],
"number_observations": 170687,
"number_observations_unique": 41255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.790],
"number_observations": 8820,
"number_observations_unique": 2230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.679
},
{
"type": "R(meas)",
"value": 0.784
},
{
"type": "R(pim)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
},
{
"resolution_limits": [47.970,9.110],
"number_observations": 1199,
"number_observations_unique": 331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 41.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}