Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9c6f9ac519224e77c0d251ddc4aaebaf",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 128.521,
"b": 207.007,
"c": 116.833,
"alpha": 90.00,
"beta": 110.29,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [109.580,2.100],
"number_observations": 306519,
"number_observations_unique": 157660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 23433,
"number_observations_unique": 12276,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.606
},
{
"type": "R(meas)",
"value": 2.193
},
{
"type": "R(pim)",
"value": 1.485
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.124
}
]
},
{
"resolution_limits": [109.580,9.860],
"number_observations": 2775,
"number_observations_unique": 1528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}