Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "68d3b441cab04827955b0cc4b6c122b7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 84.290,
"b": 132.780,
"c": 122.818,
"alpha": 90.00,
"beta": 90.17,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.5930,2.570],
"number_observations_unique": 86043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.640,2.570],
"number_observations": 34746,
"number_observations_unique": 6338,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.639
},
{
"type": "R(meas)",
"value": 1.812
},
{
"type": "R(pim)",
"value": 0.761
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.522
}
]
},
{
"resolution_limits": [69.590,11.490],
"number_observations": 5440,
"number_observations_unique": 1016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 38.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}