Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "173fc65bf09d6ae363f8d27ee3772555",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 34.165,
"b": 61.324,
"c": 87.737,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.87,2.00],
"number_observations_unique": 12629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [43.87,8.94],
"number_observations_unique": 154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 40.4
},
{
"type": "Completeness",
"value": 89.3
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.05,2.00],
"number_observations_unique": 930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "R(meas)",
"value": 0.398
},
{
"type": "R(pim)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
}
]
}