Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e499add9c44b27d86fb0ce2a9c33d0d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 75.14,
"b": 108.93,
"c": 118.16,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.800,1.350],
"number_observations": 1531956,
"number_observations_unique": 211860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations": 75221,
"number_observations_unique": 10451,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.068
},
{
"type": "R(meas)",
"value": 2.229
},
{
"type": "R(pim)",
"value": 0.825
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.326
}
]
},
{
"resolution_limits": [35.800,7.390],
"number_observations": 8285,
"number_observations_unique": 1405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 40.100
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}