Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c8149365d54d314e69c386a651fbd4cb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.134,
"b": 41.302,
"c": 72.102,
"alpha": 90.00,
"beta": 104.33,
"gamma": 90.00
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.970,1.300],
"number_observations": 177367,
"number_observations_unique": 57221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.300],
"number_observations": 3616,
"number_observations_unique": 2177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "R(meas)",
"value": 0.583
},
{
"type": "R(pim)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 75.900
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.674
}
]
},
{
"resolution_limits": [31.970,7.140],
"number_observations": 1218,
"number_observations_unique": 384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 41.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}