Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "000a89bcfb1d0faee0321c58a45cc925",
"space_group_name": "P 1",
"unit_cell": {
"a": 68.056,
"b": 69.411,
"c": 69.858,
"alpha": 98.73,
"beta": 97.58,
"gamma": 99.27
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,5.270],
"number_observations": 16778,
"number_observations_unique": 4417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [5.360,5.270],
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.728
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [5.460,5.360],
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [5.560,5.460],
"number_observations_unique": 240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.616
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [5.680,5.560],
"number_observations_unique": 214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [5.800,5.680],
"number_observations_unique": 221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [5.930,5.800],
"number_observations_unique": 215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.596
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [6.080,5.930],
"number_observations_unique": 231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [6.250,6.080],
"number_observations_unique": 224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.558
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [6.430,6.250],
"number_observations_unique": 215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [6.640,6.430],
"number_observations_unique": 222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [6.870,6.640],
"number_observations_unique": 245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [7.150,6.870],
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [7.470,7.150],
"number_observations_unique": 237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [7.870,7.470],
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [8.360,7.870],
"number_observations_unique": 223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [9.000,8.360],
"number_observations_unique": 233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [9.900,9.000],
"number_observations_unique": 222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [11.310,9.900],
"number_observations_unique": 234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [14.200,11.310],
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [50.000,14.200],
"number_observations_unique": 200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.800
}
]
}
]
}