Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8cb205e07b00bd147850be9001dd9e5c",
"space_group_name": "P 63",
"unit_cell": {
"a": 119.69,
"b": 119.69,
"c": 77.82,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.827,2.100],
"number_observations": 190193,
"number_observations_unique": 37061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 15.610
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.132
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"number_observations": 14091,
"number_observations_unique": 2712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.780
},
{
"type": "R(meas)",
"value": 0.870
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.196
},
{
"type": "CC(1/2)",
"value": 0.711
}
]
},
{
"resolution_limits": [2.210,2.150],
"number_observations": 13651,
"number_observations_unique": 2654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.664
},
{
"type": "R(meas)",
"value": 0.740
},
{
"type": "I/SigI",
"value": 2.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.144
},
{
"type": "CC(1/2)",
"value": 0.740
}
]
},
{
"resolution_limits": [2.280,2.210],
"number_observations": 12818,
"number_observations_unique": 2581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.547
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "I/SigI",
"value": 2.730
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.966
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [2.350,2.280],
"number_observations": 12398,
"number_observations_unique": 2522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "R(meas)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 3.770
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.916
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations": 13102,
"number_observations_unique": 2444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 4.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.361
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [2.510,2.420],
"number_observations": 12545,
"number_observations_unique": 2365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 6.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.304
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.600,2.510],
"number_observations": 11866,
"number_observations_unique": 2274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 7.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.218
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [2.710,2.600],
"number_observations": 11213,
"number_observations_unique": 2174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 9.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.158
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.830,2.710],
"number_observations": 10058,
"number_observations_unique": 2104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 11.380
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.780
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.970,2.830],
"number_observations": 10734,
"number_observations_unique": 2018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.319
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.130,2.970],
"number_observations": 10269,
"number_observations_unique": 1919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 19.260
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.351
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.320,3.130],
"number_observations": 9599,
"number_observations_unique": 1836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 25.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.228
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.550,3.320],
"number_observations": 8555,
"number_observations_unique": 1692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 29.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.056
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.830,3.550],
"number_observations": 7678,
"number_observations_unique": 1584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 32.230
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.847
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.200,3.830],
"number_observations": 7817,
"number_observations_unique": 1462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 38.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.347
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.700,4.200],
"number_observations": 6872,
"number_observations_unique": 1320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 40.050
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.206
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.420,4.700],
"number_observations": 5660,
"number_observations_unique": 1184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 39.040
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.780
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.640,5.420],
"number_observations": 5190,
"number_observations_unique": 1004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 39.130
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.169
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.390,6.640],
"number_observations": 3978,
"number_observations_unique": 770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 44.110
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.166
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [51.827,9.390],
"number_observations": 2099,
"number_observations_unique": 442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 46.240
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.749
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}