Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "86f0c24932d6e5e80178dae646564b56",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.60,
"b": 52.02,
"c": 73.50,
"alpha": 90.00,
"beta": 96.72,
"gamma": 90.00
},
"wavelengths": [0.87300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.360,2.990],
"number_observations": 49067,
"number_observations_unique": 7836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "R(meas)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 6.610
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.262
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [3.070,2.990],
"number_observations_unique": 478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.678
},
{
"type": "R(meas)",
"value": 0.760
},
{
"type": "I/SigI",
"value": 2.170
},
{
"type": "Completeness",
"value": 81.400
},
{
"type": "Redundancy",
"value": 4.751
},
{
"type": "CC(1/2)",
"value": 0.696
}
]
},
{
"resolution_limits": [3.160,3.070],
"number_observations_unique": 538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "R(meas)",
"value": 0.707
},
{
"type": "I/SigI",
"value": 2.520
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 5.165
},
{
"type": "CC(1/2)",
"value": 0.721
}
]
},
{
"resolution_limits": [3.250,3.160],
"number_observations_unique": 573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.594
},
{
"type": "I/SigI",
"value": 3.160
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.794
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [3.350,3.250],
"number_observations_unique": 533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.513
},
{
"type": "R(meas)",
"value": 0.560
},
{
"type": "I/SigI",
"value": 3.840
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.336
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [3.460,3.350],
"number_observations_unique": 527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "R(meas)",
"value": 0.454
},
{
"type": "I/SigI",
"value": 4.690
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.645
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [3.580,3.460],
"number_observations_unique": 479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "R(meas)",
"value": 0.423
},
{
"type": "I/SigI",
"value": 5.190
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.718
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [3.710,3.580],
"number_observations_unique": 513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "R(meas)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 5.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.598
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [3.870,3.710],
"number_observations_unique": 467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.794
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [4.040,3.870],
"number_observations_unique": 442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 7.680
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.744
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [4.230,4.040],
"number_observations_unique": 426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 8.550
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.688
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [4.460,4.230],
"number_observations_unique": 424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 10.070
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.583
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [4.730,4.460],
"number_observations_unique": 389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 10.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.599
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [5.060,4.730],
"number_observations_unique": 359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 10.040
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.526
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [5.470,5.060],
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.448
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [5.990,5.470],
"number_observations_unique": 326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 7.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.472
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [6.690,5.990],
"number_observations_unique": 299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "I/SigI",
"value": 7.520
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.468
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [7.730,6.690],
"number_observations_unique": 248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 8.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.367
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [9.470,7.730],
"number_observations_unique": 217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.728
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [13.390,9.470],
"number_observations_unique": 175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 13.550
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.834
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [42.360,13.390],
"number_observations_unique": 86,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 12.130
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 5.244
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}