Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd4960e9c1419fdd00c302922d751f73",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 165.515,
"b": 165.515,
"c": 94.681,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.780],
"number_observations": 2388937,
"number_observations_unique": 192362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 17.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.780],
"number_observations_unique": 4531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.968
},
{
"type": "R(meas)",
"value": 0.993
},
{
"type": "R(pim)",
"value": 0.780
},
{
"type": "Completeness",
"value": 64.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.164
}
]
},
{
"resolution_limits": [1.840,1.810],
"number_observations_unique": 5565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.816
},
{
"type": "R(meas)",
"value": 0.836
},
{
"type": "R(pim)",
"value": 0.694
},
{
"type": "Completeness",
"value": 79.400
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.208
}
]
},
{
"resolution_limits": [1.880,1.840],
"number_observations_unique": 6487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.688
},
{
"type": "R(meas)",
"value": 0.705
},
{
"type": "R(pim)",
"value": 0.637
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.237
}
]
},
{
"resolution_limits": [1.920,1.880],
"number_observations_unique": 6943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "R(meas)",
"value": 0.574
},
{
"type": "R(pim)",
"value": 0.561
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.390
}
]
},
{
"resolution_limits": [1.960,1.920],
"number_observations_unique": 7023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.432
},
{
"type": "R(meas)",
"value": 0.444
},
{
"type": "R(pim)",
"value": 0.459
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.574
}
]
},
{
"resolution_limits": [2.000,1.960],
"number_observations_unique": 7072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "R(pim)",
"value": 0.379
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [2.050,2.000],
"number_observations_unique": 7039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "R(pim)",
"value": 0.314
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.000
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [2.110,2.050],
"number_observations_unique": 7085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "R(pim)",
"value": 0.273
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [2.170,2.110],
"number_observations_unique": 7020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.900
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [2.240,2.170],
"number_observations_unique": 7082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.183
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.000
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [2.320,2.240],
"number_observations_unique": 7074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.600
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [2.420,2.320],
"number_observations_unique": 7055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.300
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.530,2.420],
"number_observations_unique": 7062,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.900
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.660,2.530],
"number_observations_unique": 7098,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.200
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [2.830,2.660],
"number_observations_unique": 7102,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.040,2.830],
"number_observations_unique": 7113,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.900
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.350,3.040],
"number_observations_unique": 7127,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.600
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.830,3.350],
"number_observations_unique": 7139,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.500
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [4.830,3.830],
"number_observations_unique": 7196,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [50.000,4.830],
"number_observations_unique": 7392,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.500
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
}
]
}