Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "883c859b69a61ca8c07d6ccb0c598702",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.69,
"b": 45.43,
"c": 83.44,
"alpha": 90.00,
"beta": 102.25,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.770,1.870],
"number_observations": 130843,
"number_observations_unique": 37745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.870],
"number_observations": 9657,
"number_observations_unique": 2768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.576
},
{
"type": "R(meas)",
"value": 0.682
},
{
"type": "R(pim)",
"value": 0.360
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.729
}
]
},
{
"resolution_limits": [40.770,8.360],
"number_observations": 1614,
"number_observations_unique": 464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 29.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}