Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a66383871e49d655b0ca4fa89427c56d",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 42.424,
"b": 42.424,
"c": 217.421,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [108.830,1.960],
"number_observations": 387075,
"number_observations_unique": 15343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "R(meas)",
"value": 0.369
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 25.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 28083,
"number_observations_unique": 1046,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.977
},
{
"type": "R(meas)",
"value": 5.073
},
{
"type": "R(pim)",
"value": 0.973
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 26.800
},
{
"type": "CC(1/2)",
"value": 0.399
}
]
},
{
"resolution_limits": [108.830,8.980],
"number_observations": 3536,
"number_observations_unique": 232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.312
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.200
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
}
]
}