Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3ee689ed685e26b64a660ddc8ca14547",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.079,
"b": 63.984,
"c": 128.101,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.31,1.700],
"number_observations_unique": 43115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 10843,
"number_observations_unique": 2274,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.419
},
{
"type": "R(meas)",
"value": 1.587
},
{
"type": "R(pim)",
"value": 0.693
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.511
}
]
},
{
"resolution_limits": [45.270,9.000],
"number_observations": 1464,
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 34.200
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}