Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9b076c1c460b83e0da177a3acb92e12",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 137.040,
"b": 132.030,
"c": 163.139,
"alpha": 90.00,
"beta": 109.13,
"gamma": 90.00
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [86.220,3.300],
"number_observations": 248849,
"number_observations_unique": 82602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [3.370,3.300],
"number_observations": 13028,
"number_observations_unique": 4668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.761
},
{
"type": "R(meas)",
"value": 0.935
},
{
"type": "R(pim)",
"value": 0.535
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.548
}
]
},
{
"resolution_limits": [86.220,16.830],
"number_observations": 1870,
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
}
]
}