Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4d662b6c1b01e5717a956fc305e7f0ce",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.059,
"b": 64.356,
"c": 74.764,
"alpha": 90.00,
"beta": 126.13,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.630,1.840],
"number_observations": 160214,
"number_observations_unique": 38442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations": 9408,
"number_observations_unique": 2292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.629
},
{
"type": "R(meas)",
"value": 0.721
},
{
"type": "R(pim)",
"value": 0.348
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.781
}
]
},
{
"resolution_limits": [34.630,9.030],
"number_observations": 1234,
"number_observations_unique": 335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 43.700
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}