Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b4c2945bb5226fdd5f693c88bb24724",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 69.053,
"b": 98.762,
"c": 133.668,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97895],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.834,2.20],
"number_observations_unique": 45830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 12292,
"number_observations_unique": 3169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.730
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.320,2.260],
"number_observations": 12525,
"number_observations_unique": 3325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations": 11754,
"number_observations_unique": 3203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.513
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.460,2.390],
"number_observations": 11135,
"number_observations_unique": 3124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations": 9692,
"number_observations_unique": 2853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.630,2.540],
"number_observations": 23452,
"number_observations_unique": 2950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.533
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [2.730,2.630],
"number_observations": 22661,
"number_observations_unique": 2860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [2.840,2.730],
"number_observations": 21538,
"number_observations_unique": 2751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [2.970,2.840],
"number_observations": 20306,
"number_observations_unique": 2630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [3.110,2.970],
"number_observations": 19341,
"number_observations_unique": 2530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.280,3.110],
"number_observations": 15482,
"number_observations_unique": 2300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 10.7
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [3.480,3.280],
"number_observations": 18072,
"number_observations_unique": 2261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 14.4
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [3.720,3.480],
"number_observations": 17491,
"number_observations_unique": 2168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 17.2
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [4.020,3.720],
"number_observations": 15796,
"number_observations_unique": 2032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 19.9
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [4.400,4.020],
"number_observations": 14073,
"number_observations_unique": 1842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 22.2
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [4.920,4.400],
"number_observations": 10416,
"number_observations_unique": 1569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 22.6
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [5.680,4.920],
"number_observations": 11920,
"number_observations_unique": 1484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 23.3
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [6.960,5.680],
"number_observations": 9985,
"number_observations_unique": 1262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 21.7
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
{
"resolution_limits": [9.840,6.960],
"number_observations": 6433,
"number_observations_unique": 949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 26.5
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [29.834,9.840],
"number_observations": 4513,
"number_observations_unique": 568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 32.8
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 7.900
}
]
}
]
}