Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6cd4876591c3b62e3c7add0e3b73e88f",
"space_group_name": "P 41",
"unit_cell": {
"a": 83.183,
"b": 83.183,
"c": 174.240,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.800],
"number_observations": 104143,
"number_observations_unique": 28104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 1313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(meas)",
"value": 0.462
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.307
}
]
},
{
"resolution_limits": [2.900,2.850],
"number_observations_unique": 1350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.381
}
]
},
{
"resolution_limits": [2.960,2.900],
"number_observations_unique": 1338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "R(meas)",
"value": 0.398
},
{
"type": "R(pim)",
"value": 0.226
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.445
}
]
},
{
"resolution_limits": [3.020,2.960],
"number_observations_unique": 1388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.285
},
{
"type": "R(meas)",
"value": 0.343
},
{
"type": "R(pim)",
"value": 0.187
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
},
{
"resolution_limits": [3.080,3.020],
"number_observations_unique": 1361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "R(meas)",
"value": 0.327
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.662
}
]
},
{
"resolution_limits": [3.150,3.080],
"number_observations_unique": 1397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "R(pim)",
"value": 0.153
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.789
}
]
},
{
"resolution_limits": [3.230,3.150],
"number_observations_unique": 1413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [3.320,3.230],
"number_observations_unique": 1435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [3.420,3.320],
"number_observations_unique": 1415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [3.530,3.420],
"number_observations_unique": 1434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [3.650,3.530],
"number_observations_unique": 1440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.800,3.650],
"number_observations_unique": 1454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.970,3.800],
"number_observations_unique": 1429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.180,3.970],
"number_observations_unique": 1461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.440,4.180],
"number_observations_unique": 1432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.790,4.440],
"number_observations_unique": 1452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.270,4.790],
"number_observations_unique": 1466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.030,5.270],
"number_observations_unique": 1454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [7.590,6.030],
"number_observations_unique": 1445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,7.590],
"number_observations_unique": 1227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 81.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}