Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e9a56b87567a0b171800e4cdf352e60a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 151.863,
"b": 60.536,
"c": 53.855,
"alpha": 90.00,
"beta": 107.88,
"gamma": 90.00
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.9,1.680],
"number_observations_unique": 50834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.680],
"number_observations": 51686,
"number_observations_unique": 7737,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.972
},
{
"type": "R(meas)",
"value": 2.138
},
{
"type": "R(pim)",
"value": 0.817
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
},
{
"resolution_limits": [55.840,5.300],
"number_observations": 9879,
"number_observations_unique": 1731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}