Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c0c576b68591388bdf05a14a3570c17",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.106,
"b": 56.341,
"c": 101.810,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.070,1.870],
"number_observations": 176446,
"number_observations_unique": 26893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.870],
"number_observations": 12197,
"number_observations_unique": 1848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.919
},
{
"type": "R(meas)",
"value": 0.997
},
{
"type": "R(pim)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.802
}
]
},
{
"resolution_limits": [29.070,8.350],
"number_observations": 2134,
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 70.800
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}