Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1faae91e4473405ed4d8cee1d255e251",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.231,
"b": 51.313,
"c": 78.892,
"alpha": 90.00,
"beta": 91.93,
"gamma": 90.00
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.010,1.520],
"number_observations": 343416,
"number_observations_unique": 53573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.520],
"number_observations": 13245,
"number_observations_unique": 2229,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.043
},
{
"type": "R(meas)",
"value": 2.230
},
{
"type": "R(pim)",
"value": 0.880
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 84.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.530
}
]
},
{
"resolution_limits": [43.010,8.350],
"number_observations": 2134,
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 29.800
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}