Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cec9e51d34cc6dd40b46061103ba561e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 137.369,
"b": 171.860,
"c": 179.572,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97624],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [107.300,2.20],
"number_observations_unique": 212120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 98.67
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.24,2.200],
"number_observations_unique": 8698,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.047
},
{
"type": "R(meas)",
"value": 1.179
},
{
"type": "R(pim)",
"value": 0.525
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 81.74
},
{
"type": "Redundancy",
"value": 4.75
},
{
"type": "CC(1/2)",
"value": 0.517
}
]
},
{
"resolution_limits": [107.43,5.97],
"number_observations_unique": 11293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.09
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}