Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31faa9e3b3fc0a344764cfb5b8f094a5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.485,
"b": 41.435,
"c": 72.240,
"alpha": 90.00,
"beta": 104.44,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.960,1.300],
"number_observations": 540280,
"number_observations_unique": 59480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 17214,
"number_observations_unique": 2830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.561
},
{
"type": "R(meas)",
"value": 0.613
},
{
"type": "R(pim)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [69.960,7.120],
"number_observations": 4297,
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 41.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}