Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "19367d1765750b1811230c0aa8b4bba2",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.107,
"b": 70.049,
"c": 85.840,
"alpha": 103.00,
"beta": 96.26,
"gamma": 112.24
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.600,2.270],
"number_observations": 181844,
"number_observations_unique": 54116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.270],
"number_observations": 14370,
"number_observations_unique": 4335,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.598
},
{
"type": "R(meas)",
"value": 1.903
},
{
"type": "R(pim)",
"value": 1.017
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.464
}
]
},
{
"resolution_limits": [81.600,9.620],
"number_observations": 2771,
"number_observations_unique": 729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}