Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b9015a278e89015e40819956a7c9aab4",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 148.869,
"b": 172.073,
"c": 100.210,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.1,1.800],
"number_observations": 668834,
"number_observations_unique": 118576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 23.260
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.64
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.800],
"number_observations": 99523,
"number_observations_unique": 17598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "R(meas)",
"value": 0.452
},
{
"type": "I/SigI",
"value": 3.960
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.66
}
]
},
{
"resolution_limits": [2.000,1.900],
"number_observations": 75537,
"number_observations_unique": 14257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 6.240
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.100,2.000],
"number_observations": 68395,
"number_observations_unique": 11695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 10.140
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.270,2.100],
"number_observations": 90114,
"number_observations_unique": 15456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 15.220
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.490,2.270],
"number_observations": 80823,
"number_observations_unique": 14323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 20.840
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.860,2.490],
"number_observations": 86572,
"number_observations_unique": 15227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 29.560
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [3.600,2.860],
"number_observations": 84049,
"number_observations_unique": 14816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 42.920
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [6.000,3.600],
"number_observations": 65937,
"number_observations_unique": 11818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 56.070
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [12.000,6.000],
"number_observations": 15517,
"number_observations_unique": 2930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 58.230
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [20.000,12.000],
"number_observations": 1913,
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 62.010
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [50.000,20.000],
"number_observations": 452,
"number_observations_unique": 99,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 57.210
},
{
"type": "Completeness",
"value": 96.100
}
]
},
{
"resolution_limits": [100.000,50.000],
"number_observations": 2,
"number_observations_unique": 1,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 41.400
},
{
"type": "Completeness",
"value": 12.500
}
]
},
{
"resolution_limits": [49.1,100.000],
"quality_factors": [
]
}
]
}