Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5574a4998166a0a98ac1d6389ad6c692",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.913,
"b": 102.742,
"c": 87.306,
"alpha": 90.0,
"beta": 101.2,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.700,1.760],
"number_observations": 414637,
"number_observations_unique": 119832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.760],
"number_observations": 21514,
"number_observations_unique": 7355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.902
},
{
"type": "R(meas)",
"value": 1.109
},
{
"type": "R(pim)",
"value": 0.632
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 81.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.482
}
]
},
{
"resolution_limits": [85.700,7.870],
"number_observations": 5158,
"number_observations_unique": 1436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 27.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}