Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3bc9cfd6c697c589a7eca7bd5adb9a6f",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.747,
"b": 88.747,
"c": 39.523,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.370,1.000],
"number_observations": 1055519,
"number_observations_unique": 165331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,1.000],
"number_observations": 35934,
"number_observations_unique": 7544,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.156
},
{
"type": "R(meas)",
"value": 1.295
},
{
"type": "R(pim)",
"value": 0.570
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.689
}
]
},
{
"resolution_limits": [44.370,5.480],
"number_observations": 7515,
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 61.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}