Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "183ca1edc3971d09460851227e7e9f47",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 40.327,
"b": 73.232,
"c": 108.201,
"alpha": 90.00,
"beta": 91.18,
"gamma": 90.00
},
"wavelengths": [0.97929],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.510,2.600],
"number_observations": 73091,
"number_observations_unique": 19516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 9148,
"number_observations_unique": 2409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.729
},
{
"type": "R(meas)",
"value": 0.850
},
{
"type": "R(pim)",
"value": 0.435
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [43.510,9.010],
"number_observations": 1674,
"number_observations_unique": 489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 38.500
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}