Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "1b3c76b0f66b6aad2c95886fc0cf0ca4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.687,
"b": 47.789,
"c": 70.521,
"alpha": 90.00,
"beta": 90.99,
"gamma": 90.00
},
"wavelengths": [0.92205],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.500,1.340],
"number_observations": 390354,
"number_observations_unique": 65761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations_unique": 2461,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.715
},
{
"type": "R(meas)",
"value": 2.041
},
{
"type": "R(pim)",
"value": 1.066
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 74.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.297
}
]
},
{
"resolution_limits": [70.500,7.340],
"number_observations_unique": 448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 33.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}