Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "923e48709e3bb9721aabd41c294e0763",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 40.470,
"b": 51.976,
"c": 66.304,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97741],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.910,1.600],
"number_observations": 115783,
"number_observations_unique": 18969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 3650,
"number_observations_unique": 891,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.835
},
{
"type": "R(meas)",
"value": 2.092
},
{
"type": "R(pim)",
"value": 0.982
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.366
}
]
},
{
"resolution_limits": [40.910,8.780],
"number_observations": 726,
"number_observations_unique": 150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 82.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}