Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "42d4c513045aca3b18ee0864fede6355",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 33.452,
"b": 29.943,
"c": 52.691,
"alpha": 90.00,
"beta": 94.62,
"gamma": 90.00
},
"wavelengths": [0.91990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.3430,1.800],
"number_observations_unique": 9608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 2298,
"number_observations_unique": 448,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.124
},
{
"type": "R(meas)",
"value": 1.248
},
{
"type": "R(pim)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 80.200
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.553
}
]
},
{
"resolution_limits": [33.340,9.000],
"number_observations": 557,
"number_observations_unique": 91,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 37.400
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}