Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87d639e49a87e63e5bfd967d156805de",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 95.81,
"b": 95.81,
"c": 174.77,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95369],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.001,2.000],
"number_observations_unique": 55784,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 39173,
"number_observations_unique": 4056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.710
},
{
"type": "R(meas)",
"value": 0.750
},
{
"type": "R(pim)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [2.110,2.050],
"number_observations": 38531,
"number_observations_unique": 3957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.556
},
{
"type": "R(meas)",
"value": 0.587
},
{
"type": "R(pim)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [2.170,2.110],
"number_observations": 37517,
"number_observations_unique": 3840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.474
},
{
"type": "R(pim)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [2.240,2.170],
"number_observations": 36484,
"number_observations_unique": 3742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [2.310,2.240],
"number_observations": 35242,
"number_observations_unique": 3615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [2.390,2.310],
"number_observations": 34305,
"number_observations_unique": 3514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations": 33138,
"number_observations_unique": 3411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations": 31962,
"number_observations_unique": 3278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations": 30565,
"number_observations_unique": 3150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [2.830,2.700],
"number_observations": 29358,
"number_observations_unique": 3025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [2.980,2.830],
"number_observations": 27930,
"number_observations_unique": 2881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [3.160,2.980],
"number_observations": 26221,
"number_observations_unique": 2717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [3.380,3.160],
"number_observations": 24741,
"number_observations_unique": 2578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
{
"resolution_limits": [3.650,3.380],
"number_observations": 22716,
"number_observations_unique": 2409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
}
]
},
{
"resolution_limits": [4.000,3.650],
"number_observations": 20045,
"number_observations_unique": 2234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [4.470,4.000],
"number_observations": 18116,
"number_observations_unique": 2030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [5.160,4.470],
"number_observations": 16363,
"number_observations_unique": 1805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [6.320,5.160],
"number_observations": 14174,
"number_observations_unique": 1561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [8.940,6.320],
"number_observations": 11261,
"number_observations_unique": 1244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [37.001,8.940],
"number_observations": 5952,
"number_observations_unique": 737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 8.100
}
]
}
]
}