Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2e70afd7d9e8020f849c74ad34d3deee",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 5.264,
"b": 24.967,
"c": 20.736,
"alpha": 90.00,
"beta": 94.85,
"gamma": 90.00
},
"wavelengths": [0.70000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.55,0.820],
"number_observations_unique": 9768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 12.020
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 2.795
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [0.840,0.820],
"number_observations_unique": 702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.428
},
{
"type": "I/SigI",
"value": 4.470
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 2.771
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [0.860,0.840],
"number_observations_unique": 699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 4.830
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 2.645
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [0.890,0.860],
"number_observations_unique": 637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.274
},
{
"type": "I/SigI",
"value": 6.220
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 2.625
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [0.920,0.890],
"number_observations_unique": 636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 6.830
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 2.714
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [0.950,0.920],
"number_observations_unique": 631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 8.570
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 2.894
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [0.980,0.950],
"number_observations_unique": 647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 9.520
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 2.847
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [1.020,0.980],
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 10.870
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 2.897
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [1.060,1.020],
"number_observations_unique": 584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 12.320
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 2.788
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [1.110,1.060],
"number_observations_unique": 537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 13.730
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.834
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [1.160,1.110],
"number_observations_unique": 532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 14.490
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.586
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.220,1.160],
"number_observations_unique": 530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 14.630
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 2.649
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.300,1.220],
"number_observations_unique": 522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 15.250
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.943
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.390,1.300],
"number_observations_unique": 429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 15.890
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.009
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.500,1.390],
"number_observations_unique": 415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 16.950
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.995
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [1.640,1.500],
"number_observations_unique": 412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 17.860
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.888
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [1.830,1.640],
"number_observations_unique": 372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 18.390
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 2.780
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.120,1.830],
"number_observations_unique": 289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 18.910
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.682
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.590,2.120],
"number_observations_unique": 297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 20.510
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.747
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.670,2.590],
"number_observations_unique": 190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 22.830
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.079
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [20.55,3.670],
"number_observations_unique": 116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 22.750
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.836
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}