Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f99ab3798bfb69128f228cc98f070c87",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 147.229,
"b": 90.525,
"c": 86.412,
"alpha": 90.00,
"beta": 122.01,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [24.430,1.680],
"number_observations": 702036,
"number_observations_unique": 75151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 21687,
"number_observations_unique": 5313,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.125
},
{
"type": "R(meas)",
"value": 1.285
},
{
"type": "R(pim)",
"value": 0.608
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.639
}
]
},
{
"resolution_limits": [24.430,9.190],
"number_observations": 4921,
"number_observations_unique": 581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 33.800
},
{
"type": "Completeness",
"value": 83.300
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}