Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5404e866a84d246ab5ec9def823290b9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.720,
"b": 45.895,
"c": 63.501,
"alpha": 90.00,
"beta": 111.66,
"gamma": 90.00
},
"wavelengths": [0.91731],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.230,1.404],
"number_observations": 200877,
"number_observations_unique": 61404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.408,1.404],
"number_observations": 54124,
"number_observations_unique": 17371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "R(meas)",
"value": 0.346
},
{
"type": "R(pim)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
}
]
}