Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "7600fd63547610adc93f70bcd61057f3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.304,
"b": 82.980,
"c": 58.689,
"alpha": 90.0,
"beta": 108.6,
"gamma": 90.0
},
"wavelengths": [0.92203],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.810,1.470],
"number_observations": 413364,
"number_observations_unique": 77059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.470],
"number_observations": 3766,
"number_observations_unique": 1917,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.116
},
{
"type": "R(meas)",
"value": 1.541
},
{
"type": "R(pim)",
"value": 1.056
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 46.100
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.310
}
]
},
{
"resolution_limits": [82.810,8.070],
"number_observations": 3455,
"number_observations_unique": 553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 78.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}