Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "08a5c61d606216951c4c93bb78bd308f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 193.269,
"b": 64.850,
"c": 159.119,
"alpha": 90.0,
"beta": 117.1,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.900],
"number_observations": 526703,
"number_observations_unique": 138003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations_unique": 6831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.701
},
{
"type": "R(meas)",
"value": 0.821
},
{
"type": "R(pim)",
"value": 0.424
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
},
{
"resolution_limits": [1.970,1.930],
"number_observations_unique": 6907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.621
},
{
"type": "R(meas)",
"value": 0.725
},
{
"type": "R(pim)",
"value": 0.372
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [2.010,1.970],
"number_observations_unique": 6829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.525
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "R(pim)",
"value": 0.312
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [2.050,2.010],
"number_observations_unique": 6841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(meas)",
"value": 0.537
},
{
"type": "R(pim)",
"value": 0.273
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 6873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "R(meas)",
"value": 0.502
},
{
"type": "R(pim)",
"value": 0.255
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
},
{
"resolution_limits": [2.140,2.090],
"number_observations_unique": 6882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "R(meas)",
"value": 0.449
},
{
"type": "R(pim)",
"value": 0.229
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [2.190,2.140],
"number_observations_unique": 6821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "R(meas)",
"value": 0.386
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [2.250,2.190],
"number_observations_unique": 6866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "R(meas)",
"value": 0.345
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [2.320,2.250],
"number_observations_unique": 6912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "R(meas)",
"value": 0.313
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [2.390,2.320],
"number_observations_unique": 6843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.283
},
{
"type": "R(pim)",
"value": 0.144
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations_unique": 6912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations_unique": 6857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations_unique": 6901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.840,2.700],
"number_observations_unique": 6884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.020,2.840],
"number_observations_unique": 6896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [3.250,3.020],
"number_observations_unique": 6939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [3.580,3.250],
"number_observations_unique": 6929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [4.090,3.580],
"number_observations_unique": 6949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [5.160,4.090],
"number_observations_unique": 6968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [50.000,5.160],
"number_observations_unique": 7163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
}
]
}