Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72c155025ca16882ebb5bbec78cc81fd",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 50.390,
"b": 161.259,
"c": 33.258,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.75,2.30],
"number_observations_unique": 12771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 32.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 1.00
}
]
},
"refln_shells": [
{
"resolution_limits": [2.38,2.30],
"number_observations_unique": 1241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [53.750,8.91],
"number_observations_unique": 269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 60.3
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 5.30
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}