Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1ec66ebce52d5b1c334d1668f2700185",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 182.91,
"b": 182.91,
"c": 90.56,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.900,2.800],
"number_observations": 292615,
"number_observations_unique": 42532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.570
}
]
},
"refln_shells": [
{
"resolution_limits": [2.900,2.800],
"number_observations": 28721,
"number_observations_unique": 4263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.470
}
]
},
{
"resolution_limits": [3.020,2.900],
"number_observations": 29096,
"number_observations_unique": 4259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.580
}
]
},
{
"resolution_limits": [3.150,3.020],
"number_observations": 29093,
"number_observations_unique": 4264,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.570
}
]
},
{
"resolution_limits": [3.320,3.150],
"number_observations": 29167,
"number_observations_unique": 4244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.590
}
]
},
{
"resolution_limits": [3.530,3.320],
"number_observations": 29394,
"number_observations_unique": 4246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.610
}
]
},
{
"resolution_limits": [3.800,3.530],
"number_observations": 29405,
"number_observations_unique": 4218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.640
}
]
},
{
"resolution_limits": [4.180,3.800],
"number_observations": 29458,
"number_observations_unique": 4176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.680
}
]
},
{
"resolution_limits": [4.780,4.180],
"number_observations": 29759,
"number_observations_unique": 4229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [6.020,4.780],
"number_observations": 29536,
"number_observations_unique": 4255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 24.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.650
}
]
},
{
"resolution_limits": [29.900,6.020],
"number_observations": 28986,
"number_observations_unique": 4378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 33.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.310
}
]
}
]
}