Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4007b45e218224e09f2e5523f437d490",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 74.162,
"b": 115.070,
"c": 80.819,
"alpha": 90.00,
"beta": 102.89,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.463,3.490],
"number_observations": 48779,
"number_observations_unique": 16453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [3.550,3.490],
"number_observations": 2475,
"number_observations_unique": 817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.777
},
{
"type": "R(pim)",
"value": 0.426
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.763
}
]
},
{
"resolution_limits": [46.463,9.447],
"number_observations": 2409,
"number_observations_unique": 817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 22.000
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}