Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1dc8437e1eea498eaf727877d2c246ca",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 89.99,
"b": 72.96,
"c": 102.93,
"alpha": 90.00,
"beta": 96.32,
"gamma": 90.00
},
"wavelengths": [0.97863],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.087,2.050],
"number_observations_unique": 82662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 9.860
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.86
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.050],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "I/SigI",
"value": 1.990
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [2.160,2.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "I/SigI",
"value": 2.290
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [2.220,2.160],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 2.710
},
{
"type": "Completeness",
"value": 98.300
}
]
},
{
"resolution_limits": [2.290,2.220],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 98.100
}
]
},
{
"resolution_limits": [2.370,2.290],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 3.740
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [2.450,2.370],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 4.380
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [2.540,2.450],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 4.730
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [2.650,2.540],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 5.670
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [2.760,2.650],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 6.320
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [2.900,2.760],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 7.680
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [3.060,2.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 9.410
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [3.240,3.060],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 11.390
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [3.470,3.240],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 14.950
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.740,3.470],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 18.080
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [4.100,3.740],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 23.760
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [4.580,4.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 28.090
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [5.290,4.580],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 27.650
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [6.480,5.290],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 26.490
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [9.170,6.480],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 33.630
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [48.087,9.170],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 45.530
},
{
"type": "Completeness",
"value": 96.900
}
]
}
]
}