Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b61cc203616067cc576d2d6b3a5ba41",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 96.845,
"b": 78.835,
"c": 96.968,
"alpha": 90.00,
"beta": 119.77,
"gamma": 90.00
},
"wavelengths": [1.07255],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.620,2.590],
"number_observations": 109140,
"number_observations_unique": 37828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.710,2.590],
"number_observations": 11645,
"number_observations_unique": 4386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "R(meas)",
"value": 0.650
},
{
"type": "R(pim)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [48.620,8.980],
"number_observations": 2573,
"number_observations_unique": 909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}