Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3455daa2d1e4f3ed0ce2f503fb075500",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 122.434,
"b": 204.691,
"c": 148.457,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87313],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.33,2.250],
"number_observations_unique": 88310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.250],
"number_observations": 196536,
"number_observations_unique": 12772,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.176
},
{
"type": "R(meas)",
"value": 1.216
},
{
"type": "R(pim)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.400
}
]
},
{
"resolution_limits": [2.520,2.370],
"number_observations": 185703,
"number_observations_unique": 12092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.905
},
{
"type": "R(meas)",
"value": 0.937
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.400
}
]
},
{
"resolution_limits": [2.690,2.520],
"number_observations": 173671,
"number_observations_unique": 11402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.699
},
{
"type": "R(meas)",
"value": 0.723
},
{
"type": "R(pim)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.200
}
]
},
{
"resolution_limits": [2.900,2.690],
"number_observations": 160783,
"number_observations_unique": 10633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "R(meas)",
"value": 0.517
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.100
}
]
},
{
"resolution_limits": [3.180,2.900],
"number_observations": 146146,
"number_observations_unique": 9797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "R(meas)",
"value": 0.361
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.900
}
]
},
{
"resolution_limits": [3.560,3.180],
"number_observations": 134456,
"number_observations_unique": 8889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.100
}
]
},
{
"resolution_limits": [4.110,3.560],
"number_observations": 117860,
"number_observations_unique": 7878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.000
}
]
},
{
"resolution_limits": [5.030,4.110],
"number_observations": 95001,
"number_observations_unique": 6681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.200
}
]
},
{
"resolution_limits": [7.120,5.030],
"number_observations": 72497,
"number_observations_unique": 5243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
}
]
},
{
"resolution_limits": [29.325,7.120],
"number_observations": 39373,
"number_observations_unique": 2923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 13.500
}
]
}
]
}