Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31c81b005069a4270bd0f5d341f3f6c8",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 53.661,
"b": 110.471,
"c": 39.043,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.240,1.070],
"number_observations": 644391,
"number_observations_unique": 101277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.090,1.070],
"number_observations": 30027,
"number_observations_unique": 4970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.967
},
{
"type": "R(meas)",
"value": 1.059
},
{
"type": "R(pim)",
"value": 0.425
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.665
}
]
},
{
"resolution_limits": [55.240,5.860],
"number_observations": 4547,
"number_observations_unique": 747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 50.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}