Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53815462481f35a7f436cc9647280ed7",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 59.35,
"b": 66.34,
"c": 128.91,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.72,2.200],
"number_observations_unique": 26453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 22.880
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.654
},
{
"type": "I/SigI",
"value": 3.910
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.320,2.260],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "I/SigI",
"value": 4.040
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.390,2.320],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "I/SigI",
"value": 6.850
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.460,2.390],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.315
},
{
"type": "I/SigI",
"value": 9.070
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.540,2.460],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 10.510
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.630,2.540],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 12.250
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.730,2.630],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 15.570
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.840,2.730],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.970,2.840],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 23.070
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.110,2.970],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 27.020
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.280,3.110],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 32.350
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.480,3.280],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 33.050
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.720,3.480],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 35.690
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [4.020,3.720],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 44.390
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.400,4.020],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 46.630
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [4.920,4.400],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 43.320
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [5.680,4.920],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 45.310
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [6.960,5.680],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 52.330
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [9.840,6.960],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 54.330
},
{
"type": "Completeness",
"value": 96.400
}
]
},
{
"resolution_limits": [19.72,9.840],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 53.950
},
{
"type": "Completeness",
"value": 82.000
}
]
}
]
}