Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "dfb6acdb1c33cb6ea6f11949e82a8afe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.967,
"b": 56.164,
"c": 148.651,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.55,1.55],
"number_observations_unique": 43672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [49.55,8.49],
"number_observations_unique": 339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 39.3
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 9.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.58,1.55],
"number_observations_unique": 2140,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.397
},
{
"type": "R(meas)",
"value": 1.532
},
{
"type": "R(pim)",
"value": 0.624
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.352
}
]
}
]
}