Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "18ae3589126e408cd1c263c5fd1b2050",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 75.35,
"b": 80.15,
"c": 88.86,
"alpha": 90.00,
"beta": 102.03,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.450,1.950],
"number_observations": 156648,
"number_observations_unique": 36415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 2586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "R(meas)",
"value": 0.603
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.759
}
]
},
{
"resolution_limits": [43.45,8.940],
"number_observations_unique": 408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}