Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c396c314acca02a33acc23853f083cb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 111.647,
"b": 157.251,
"c": 168.306,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.760,3.300],
"number_observations": 248002,
"number_observations_unique": 45227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.420,3.300],
"number_observations": 24488,
"number_observations_unique": 4368,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.728
},
{
"type": "R(meas)",
"value": 1.914
},
{
"type": "R(pim)",
"value": 0.807
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.310
}
]
},
{
"resolution_limits": [47.760,12.780],
"number_observations": 3883,
"number_observations_unique": 836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 41.100
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}