Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "532d3b3c9d701d5e86f377a7119c3f6c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.727,
"b": 54.133,
"c": 74.198,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.10,1.050],
"number_observations": 402439,
"number_observations_unique": 62369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 12.920
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.453
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.080,1.050],
"number_observations": 29755,
"number_observations_unique": 4538,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.266
},
{
"type": "R(meas)",
"value": 1.376
},
{
"type": "I/SigI",
"value": 1.530
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.557
},
{
"type": "CC(1/2)",
"value": 0.599
}
]
},
{
"resolution_limits": [1.110,1.080],
"number_observations": 28770,
"number_observations_unique": 4446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.978
},
{
"type": "R(meas)",
"value": 1.064
},
{
"type": "I/SigI",
"value": 1.980
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.471
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [1.140,1.110],
"number_observations": 27001,
"number_observations_unique": 4291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.687
},
{
"type": "R(meas)",
"value": 0.750
},
{
"type": "I/SigI",
"value": 2.750
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.292
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [1.170,1.140],
"number_observations": 25913,
"number_observations_unique": 4229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.590
},
{
"type": "I/SigI",
"value": 3.470
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.127
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [1.210,1.170],
"number_observations": 27370,
"number_observations_unique": 4072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "R(meas)",
"value": 0.510
},
{
"type": "I/SigI",
"value": 4.130
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.722
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [1.250,1.210],
"number_observations": 26317,
"number_observations_unique": 3926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(meas)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 5.020
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.703
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.300,1.250],
"number_observations": 25397,
"number_observations_unique": 3807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 6.060
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.671
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [1.360,1.300],
"number_observations": 24151,
"number_observations_unique": 3671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 7.260
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.579
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [1.420,1.360],
"number_observations": 21581,
"number_observations_unique": 3537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 8.420
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.101
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.480,1.420],
"number_observations": 22082,
"number_observations_unique": 3368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 11.080
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.556
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.570,1.480],
"number_observations": 21997,
"number_observations_unique": 3217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 14.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.838
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.660,1.570],
"number_observations": 20594,
"number_observations_unique": 3055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 18.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.741
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.770,1.660],
"number_observations": 18942,
"number_observations_unique": 2864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.614
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.920,1.770],
"number_observations": 16698,
"number_observations_unique": 2699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 25.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.187
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.100,1.920],
"number_observations": 14397,
"number_observations_unique": 2466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 29.690
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.838
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.350,2.100],
"number_observations": 15087,
"number_observations_unique": 2276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 34.570
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.629
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.710,2.350],
"number_observations": 13113,
"number_observations_unique": 2013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 36.430
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.514
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.320,2.710],
"number_observations": 10411,
"number_observations_unique": 1713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 38.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.078
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.700,3.320],
"number_observations": 7889,
"number_observations_unique": 1371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 39.240
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.754
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [37.100,4.700],
"number_observations": 4974,
"number_observations_unique": 810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 40.210
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.141
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}