Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "43deead54165fcb722034c8dcc992883",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.507,
"b": 67.927,
"c": 40.165,
"alpha": 90.00,
"beta": 91.67,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.930,1.020],
"number_observations": 336299,
"number_observations_unique": 98240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.100,1.020],
"number_observations": 62495,
"number_observations_unique": 19167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "R(meas)",
"value": 0.505
},
{
"type": "R(pim)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 87.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [67.930,2.700],
"number_observations": 18416,
"number_observations_unique": 5694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 64.500
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}