Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "786ff5f97e2f576002d78ec127230a93",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.620,
"b": 79.496,
"c": 89.441,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.650,1.580],
"number_observations": 389233,
"number_observations_unique": 61958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.580],
"number_observations": 26289,
"number_observations_unique": 4530,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.297
},
{
"type": "R(meas)",
"value": 1.426
},
{
"type": "R(pim)",
"value": 0.587
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.491
}
]
},
{
"resolution_limits": [62.650,7.070],
"number_observations": 4850,
"number_observations_unique": 803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}