Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e6121b5ff0c3299631f45f72ec350094",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.627,
"b": 123.807,
"c": 62.713,
"alpha": 90.00,
"beta": 93.53,
"gamma": 90.00
},
"wavelengths": [0.97626],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.050,1.700],
"number_observations_unique": 65847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 9309,
"number_observations_unique": 3163,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.133
},
{
"type": "R(meas)",
"value": 2.571
},
{
"type": "R(pim)",
"value": 1.411
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.297
}
]
},
{
"resolution_limits": [44.010,8.980],
"number_observations": 1604,
"number_observations_unique": 454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}