Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df55704b2b6a81c9bc10f857db54c031",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.034,
"b": 56.502,
"c": 101.830,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.0970,1.760],
"number_observations": 201053,
"number_observations_unique": 32664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.760],
"number_observations": 14941,
"number_observations_unique": 2324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.972
},
{
"type": "R(meas)",
"value": 1.060
},
{
"type": "R(pim)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.725
}
]
},
{
"resolution_limits": [29.100,7.860],
"number_observations": 2654,
"number_observations_unique": 430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 31.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}