Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e06659f9ec5298b2091c41fa414e6a17",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.711,
"b": 57.930,
"c": 61.815,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.400],
"number_observations_unique": 36239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.400],
"number_observations_unique": 3631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.510,1.450],
"number_observations_unique": 3563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.580,1.510],
"number_observations_unique": 3600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.660,1.580],
"number_observations_unique": 3615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.760,1.660],
"number_observations_unique": 3628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.900,1.760],
"number_observations_unique": 3609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.090,1.900],
"number_observations_unique": 3635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.390,2.090],
"number_observations_unique": 3684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [3.020,2.390],
"number_observations_unique": 3693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [50.000,3.020],
"number_observations_unique": 3581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
}
]
}