Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "825aa9518fcf5d1ff51903df736f0474",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.700,
"b": 44.027,
"c": 55.895,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.61,1.600],
"number_observations": 93261,
"number_observations_unique": 13820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 4449,
"number_observations_unique": 680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "R(pim)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [29.890,8.760],
"number_observations": 533,
"number_observations_unique": 109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 61.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}