Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd048d08e117d06f25ba72bb8ad1a6a4",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.224,
"b": 97.124,
"c": 58.130,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.070,1.780],
"number_observations": 144693,
"number_observations_unique": 22633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.780],
"number_observations": 7136,
"number_observations_unique": 1233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.980
},
{
"type": "R(meas)",
"value": 1.073
},
{
"type": "R(pim)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 87.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
},
{
"resolution_limits": [29.070,8.700],
"number_observations": 1379,
"number_observations_unique": 225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 48.300
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}