Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78f6fcc70f66e3c083a75504c69a2346",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 254.208,
"b": 44.117,
"c": 143.219,
"alpha": 90.00,
"beta": 101.23,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.250],
"number_observations": 307815,
"number_observations_unique": 74086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.250],
"number_observations_unique": 3646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.796
},
{
"type": "R(meas)",
"value": 0.932
},
{
"type": "R(pim)",
"value": 0.472
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.320
}
]
},
{
"resolution_limits": [2.330,2.290],
"number_observations_unique": 3675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "R(meas)",
"value": 0.776
},
{
"type": "R(pim)",
"value": 0.382
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.585
}
]
},
{
"resolution_limits": [2.380,2.330],
"number_observations_unique": 3616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.578
},
{
"type": "R(meas)",
"value": 0.670
},
{
"type": "R(pim)",
"value": 0.330
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.607
}
]
},
{
"resolution_limits": [2.420,2.380],
"number_observations_unique": 3702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.525
},
{
"type": "R(meas)",
"value": 0.608
},
{
"type": "R(pim)",
"value": 0.298
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.689
}
]
},
{
"resolution_limits": [2.480,2.420],
"number_observations_unique": 3693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.479
},
{
"type": "R(meas)",
"value": 0.554
},
{
"type": "R(pim)",
"value": 0.271
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.706
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 3610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "R(meas)",
"value": 0.497
},
{
"type": "R(pim)",
"value": 0.244
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [2.600,2.530],
"number_observations_unique": 3708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "R(meas)",
"value": 0.426
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [2.670,2.600],
"number_observations_unique": 3647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "R(pim)",
"value": 0.194
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [2.750,2.670],
"number_observations_unique": 3703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
},
{
"resolution_limits": [2.830,2.750],
"number_observations_unique": 3650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.280
},
{
"type": "R(pim)",
"value": 0.138
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [2.940,2.830],
"number_observations_unique": 3614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [3.050,2.940],
"number_observations_unique": 3508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [3.190,3.050],
"number_observations_unique": 3747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [3.360,3.190],
"number_observations_unique": 3762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.570,3.360],
"number_observations_unique": 3754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.850,3.570],
"number_observations_unique": 3782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [4.230,3.850],
"number_observations_unique": 3748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.850,4.230],
"number_observations_unique": 3779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [6.100,4.850],
"number_observations_unique": 3679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [50.000,6.100],
"number_observations_unique": 4063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}