Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "448e49ddc2ec8071ed19e559e9bca839",
"space_group_name": "P 65",
"unit_cell": {
"a": 143.530,
"b": 143.530,
"c": 197.024,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.27000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.100],
"number_observations_unique": 26917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 64.800
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
"refln_shells": [
{
"resolution_limits": [3.150,3.100],
"number_observations_unique": 362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "I/SigI",
"value": 2.29
},
{
"type": "Completeness",
"value": 17.500
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.210,3.150],
"number_observations_unique": 430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 1.86
},
{
"type": "Completeness",
"value": 20.700
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.270,3.210],
"number_observations_unique": 498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "I/SigI",
"value": 2.14
},
{
"type": "Completeness",
"value": 23.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.340,3.270],
"number_observations_unique": 538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 2.83
},
{
"type": "Completeness",
"value": 26.000
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.410,3.340],
"number_observations_unique": 589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 3
},
{
"type": "Completeness",
"value": 28.300
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [3.490,3.410],
"number_observations_unique": 684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 3.57
},
{
"type": "Completeness",
"value": 33.100
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.580,3.490],
"number_observations_unique": 766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 3.57
},
{
"type": "Completeness",
"value": 37.100
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.680,3.580],
"number_observations_unique": 883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 3.88
},
{
"type": "Completeness",
"value": 42.400
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.780,3.680],
"number_observations_unique": 997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 4
},
{
"type": "Completeness",
"value": 48.200
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.910,3.780],
"number_observations_unique": 1172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 5.14
},
{
"type": "Completeness",
"value": 56.700
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [4.040,3.910],
"number_observations_unique": 1476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 5.14
},
{
"type": "Completeness",
"value": 71.600
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [4.210,4.040],
"number_observations_unique": 1889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 5.29
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [4.400,4.210],
"number_observations_unique": 2023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 7.33
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [4.630,4.400],
"number_observations_unique": 2085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 9.17
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [4.920,4.630],
"number_observations_unique": 2087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 11.17
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [5.300,4.920],
"number_observations_unique": 2086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [5.830,5.300],
"number_observations_unique": 2074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [6.670,5.830],
"number_observations_unique": 2089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 11.25
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [8.400,6.670],
"number_observations_unique": 2108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 19.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [50.000,8.400],
"number_observations_unique": 2126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 43.3
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
}
]
}