Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ffdd9583af04c30d553677dd826e7b9d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 174.620,
"b": 47.005,
"c": 64.026,
"alpha": 90.00,
"beta": 102.15,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations": 225197,
"number_observations_unique": 32930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,2.000],
"number_observations_unique": 1351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.500
},
{
"type": "R(meas)",
"value": 0.551
},
{
"type": "R(pim)",
"value": 0.224
},
{
"type": "Completeness",
"value": 78.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [2.070,2.030],
"number_observations_unique": 1342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.465
},
{
"type": "R(meas)",
"value": 0.505
},
{
"type": "R(pim)",
"value": 0.193
},
{
"type": "Completeness",
"value": 79.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [2.110,2.070],
"number_observations_unique": 1431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "R(meas)",
"value": 0.448
},
{
"type": "R(pim)",
"value": 0.170
},
{
"type": "Completeness",
"value": 82.300
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [2.150,2.110],
"number_observations_unique": 1448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "R(meas)",
"value": 0.456
},
{
"type": "R(pim)",
"value": 0.174
},
{
"type": "Completeness",
"value": 83.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 1501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.414
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 1527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "R(meas)",
"value": 0.360
},
{
"type": "R(pim)",
"value": 0.135
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 1651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 1719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "R(meas)",
"value": 0.359
},
{
"type": "R(pim)",
"value": 0.135
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.440,2.370],
"number_observations_unique": 1703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "R(meas)",
"value": 0.372
},
{
"type": "R(pim)",
"value": 0.138
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.520,2.440],
"number_observations_unique": 1717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "R(meas)",
"value": 0.336
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.610,2.520],
"number_observations_unique": 1758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.313
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.710,2.610],
"number_observations_unique": 1726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.840,2.710],
"number_observations_unique": 1730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.990,2.840],
"number_observations_unique": 1726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.170,2.990],
"number_observations_unique": 1767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.420,3.170],
"number_observations_unique": 1729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.760,3.420],
"number_observations_unique": 1758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.310,3.760],
"number_observations_unique": 1770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.430,4.310],
"number_observations_unique": 1749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [50.000,5.430],
"number_observations_unique": 1827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}