Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "146eeaf5eeada9dff5856dadcc41ece5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.446,
"b": 83.889,
"c": 59.050,
"alpha": 90.00,
"beta": 108.26,
"gamma": 90.00
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.880,1.410],
"number_observations": 431174,
"number_observations_unique": 80621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 81.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.410],
"number_observations": 1895,
"number_observations_unique": 1247,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.530
},
{
"type": "R(meas)",
"value": 2.063
},
{
"type": "R(pim)",
"value": 1.372
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 25.500
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.428
}
]
},
{
"resolution_limits": [83.880,7.720],
"number_observations": 4080,
"number_observations_unique": 636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 95.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}