Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf6c75bc102046400a521e7cd4942794",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 177.15,
"b": 134.21,
"c": 109.61,
"alpha": 90.00,
"beta": 106.08,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.320,2.160],
"number_observations": 406543,
"number_observations_unique": 130661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 6.590
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.111
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.160],
"number_observations": 29317,
"number_observations_unique": 9410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.801
},
{
"type": "R(meas)",
"value": 0.965
},
{
"type": "I/SigI",
"value": 1.410
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.116
},
{
"type": "CC(1/2)",
"value": 0.604
}
]
},
{
"resolution_limits": [2.270,2.210],
"number_observations": 30124,
"number_observations_unique": 9536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.779
},
{
"type": "I/SigI",
"value": 1.820
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.159
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [2.340,2.270],
"number_observations": 29177,
"number_observations_unique": 9255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "R(meas)",
"value": 0.669
},
{
"type": "I/SigI",
"value": 2.160
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.153
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
},
{
"resolution_limits": [2.410,2.340],
"number_observations": 28452,
"number_observations_unique": 8962,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "R(meas)",
"value": 0.569
},
{
"type": "I/SigI",
"value": 2.490
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.175
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [2.490,2.410],
"number_observations": 27489,
"number_observations_unique": 8709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(meas)",
"value": 0.509
},
{
"type": "I/SigI",
"value": 2.740
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.156
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [2.580,2.490],
"number_observations": 26724,
"number_observations_unique": 8429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "R(meas)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.170
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [2.670,2.580],
"number_observations": 25672,
"number_observations_unique": 8126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.335
},
{
"type": "R(meas)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 3.420
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.159
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [2.780,2.670],
"number_observations": 24781,
"number_observations_unique": 7825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 4.410
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.167
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.910,2.780],
"number_observations": 23604,
"number_observations_unique": 7476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 5.110
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.157
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [3.050,2.910],
"number_observations": 22720,
"number_observations_unique": 7196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 5.860
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.157
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [3.210,3.050],
"number_observations": 21445,
"number_observations_unique": 6811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 7.140
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.149
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.410,3.210],
"number_observations": 20049,
"number_observations_unique": 6412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 9.660
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.127
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.640,3.410],
"number_observations": 18660,
"number_observations_unique": 6041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 11.610
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.089
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.930,3.640],
"number_observations": 17344,
"number_observations_unique": 5661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 13.520
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.064
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.310,3.930],
"number_observations": 15559,
"number_observations_unique": 5130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 15.510
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.033
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.820,4.310],
"number_observations": 13780,
"number_observations_unique": 4598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.997
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.560,4.820],
"number_observations": 11957,
"number_observations_unique": 3988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.998
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.810,5.560],
"number_observations": 9665,
"number_observations_unique": 3293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 14.550
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 2.935
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [9.640,6.810],
"number_observations": 6847,
"number_observations_unique": 2521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 17.690
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 2.716
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [29.320,9.640],
"number_observations": 3177,
"number_observations_unique": 1282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 20.660
},
{
"type": "Completeness",
"value": 82.500
},
{
"type": "Redundancy",
"value": 2.478
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}