Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "22bc042cff1fc85b1bd9940a1eb5d8eb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 85.905,
"b": 41.506,
"c": 79.527,
"alpha": 90.00,
"beta": 109.63,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.903,1.320],
"number_observations_unique": 60637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.320],
"number_observations_unique": 8280,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.064
},
{
"type": "R(meas)",
"value": 1.241
},
{
"type": "R(pim)",
"value": 0.630
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [1.480,1.390],
"number_observations_unique": 8280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.641
},
{
"type": "R(meas)",
"value": 0.739
},
{
"type": "R(pim)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [1.580,1.480],
"number_observations_unique": 7853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "R(meas)",
"value": 0.458
},
{
"type": "R(pim)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [1.700,1.580],
"number_observations_unique": 7353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [1.870,1.700],
"number_observations_unique": 6793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [2.090,1.870],
"number_observations_unique": 6184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.410,2.090],
"number_observations_unique": 5492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.950,2.410],
"number_observations_unique": 4684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [4.170,2.950],
"number_observations_unique": 3650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [40.455,4.170],
"number_observations_unique": 2068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
}
]
}