Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cbde03d63f5d5c6d1b9bba98b45fc702",
"space_group_name": "P 43",
"unit_cell": {
"a": 50.170,
"b": 50.170,
"c": 52.247,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.170,0.974],
"number_observations": 471902,
"number_observations_unique": 61295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 22.900
},
{
"type": "Completeness",
"value": 81.200
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,0.970],
"number_observations": 4289,
"number_observations_unique": 1888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 20.500
},
{
"type": "Redundancy",
"value": 2.300
}
]
},
{
"resolution_limits": [1.080,1.020],
"number_observations": 20331,
"number_observations_unique": 5926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 55.700
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.150,1.080],
"number_observations": 41006,
"number_observations_unique": 8123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 81.300
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [1.250,1.150],
"number_observations": 66785,
"number_observations_unique": 9352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.370,1.250],
"number_observations": 63202,
"number_observations_unique": 8580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.530,1.370],
"number_observations": 60385,
"number_observations_unique": 7810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [1.760,1.530],
"number_observations": 69126,
"number_observations_unique": 6874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [2.160,1.760],
"number_observations": 74548,
"number_observations_unique": 5841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
}
]
},
{
"resolution_limits": [3.050,2.160],
"number_observations": 53973,
"number_observations_unique": 4527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [52.247,3.050],
"number_observations": 18257,
"number_observations_unique": 2374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 7.700
}
]
}
]
}