Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a9d979b2c511172e7965f1c984e2368e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.53,
"b": 93.64,
"c": 218.43,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99190],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [86.060,3.250],
"number_observations": 116904,
"number_observations_unique": 22460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 12.040
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.205
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.350,3.250],
"number_observations_unique": 1859,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.060
},
{
"type": "R(meas)",
"value": 1.181
},
{
"type": "I/SigI",
"value": 1.520
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.976
},
{
"type": "CC(1/2)",
"value": 0.657
}
]
},
{
"resolution_limits": [3.450,3.350],
"number_observations_unique": 1682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.750
},
{
"type": "R(meas)",
"value": 0.837
},
{
"type": "I/SigI",
"value": 2.120
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.054
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [3.600,3.450],
"number_observations_unique": 2244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "R(meas)",
"value": 0.555
},
{
"type": "I/SigI",
"value": 3.230
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.439
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [3.900,3.600],
"number_observations_unique": 3483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 5.230
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.472
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [4.400,3.900],
"number_observations_unique": 3914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 9.260
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.144
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.900,4.400],
"number_observations_unique": 2499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.436
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.500,4.900],
"number_observations_unique": 1949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 15.730
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.180
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [6.500,5.500],
"number_observations_unique": 1851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 17.220
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.251
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [8.000,6.500],
"number_observations_unique": 1347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.138
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations_unique": 779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 39.640
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.791
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [20.000,10.000],
"number_observations_unique": 737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 45.230
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.586
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.000,20.000],
"number_observations_unique": 110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 33.520
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 2.827
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [86.060,50.000],
"number_observations_unique": 6,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 23.840
},
{
"type": "Completeness",
"value": 66.700
},
{
"type": "Redundancy",
"value": 1.333
}
]
}
]
}