Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "86a3bb3744c50f5005be05203bfd9fd0",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 102.607,
"b": 102.607,
"c": 170.671,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,1.900],
"number_observations_unique": 42177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 17.50
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.900],
"number_observations_unique": 3912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations_unique": 4068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations_unique": 4186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.250,2.140],
"number_observations_unique": 4162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.390,2.250],
"number_observations_unique": 4220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations_unique": 4205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations_unique": 4241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [3.250,2.840],
"number_observations_unique": 4263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [4.090,3.250],
"number_observations_unique": 4336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [30.000,4.090],
"number_observations_unique": 4584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.900
}
]
}
]
}