Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e8ada0c3c618ec417adc12e742be337",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.406,
"b": 62.598,
"c": 74.396,
"alpha": 90.00,
"beta": 126.58,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.880,1.750],
"number_observations": 180374,
"number_observations_unique": 43497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.750],
"number_observations": 8863,
"number_observations_unique": 2242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.694
},
{
"type": "R(meas)",
"value": 0.801
},
{
"type": "R(pim)",
"value": 0.393
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.681
}
]
},
{
"resolution_limits": [47.880,9.100],
"number_observations": 1154,
"number_observations_unique": 328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 49.300
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}