Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eff3c05163568560cdd70c0f48ebdd01",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.004,
"b": 44.464,
"c": 78.177,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54056],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.360,2.000],
"number_observations": 69178,
"number_observations_unique": 9168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 3756,
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.859
},
{
"type": "R(meas)",
"value": 0.939
},
{
"type": "R(pim)",
"value": 0.365
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.649
}
]
},
{
"resolution_limits": [29.360,8.940],
"number_observations": 653,
"number_observations_unique": 127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}