Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf42c747e401d904e9ea80ed524c2eba",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.729,
"b": 49.745,
"c": 115.261,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.740,1.570],
"number_observations": 318629,
"number_observations_unique": 31767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.570],
"number_observations": 6701,
"number_observations_unique": 1267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.334
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 82.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [49.740,8.590],
"number_observations": 2437,
"number_observations_unique": 254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 43.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}