Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "178e33da135f6e53a46fb2da15569b71",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 69.546,
"b": 46.408,
"c": 92.851,
"alpha": 90.00,
"beta": 102.33,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [90.708,1.042],
"number_observations_unique": 162443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 58.9
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [90.708,3.412],
"number_observations_unique": 8122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 27.4
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.161,1.042],
"number_observations_unique": 8122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.878
},
{
"type": "R(meas)",
"value": 0.985
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 10.7
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.596
}
]
}
]
}