Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9185d03d93af6538b1a08c0060de3b17",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.086,
"b": 79.976,
"c": 124.428,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.540],
"number_observations": 473016,
"number_observations_unique": 73171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.540],
"number_observations_unique": 3587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.658
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [1.600,1.570],
"number_observations_unique": 3627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.570
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 3601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.512
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 3598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 3637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [1.730,1.690],
"number_observations_unique": 3559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [1.780,1.730],
"number_observations_unique": 3611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.830,1.780],
"number_observations_unique": 3626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.880,1.830],
"number_observations_unique": 3622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [1.940,1.880],
"number_observations_unique": 3596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.010,1.940],
"number_observations_unique": 3638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [2.090,2.010],
"number_observations_unique": 3645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.190,2.090],
"number_observations_unique": 3648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.300,2.190],
"number_observations_unique": 3659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.440,2.300],
"number_observations_unique": 3668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.630,2.440],
"number_observations_unique": 3693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.900,2.630],
"number_observations_unique": 3710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [3.320,2.900],
"number_observations_unique": 3717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [4.180,3.320],
"number_observations_unique": 3772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [50.000,4.180],
"number_observations_unique": 3957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.700
}
]
}
]
}