Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9586c9eb562c31f3670d4fa16b286cd8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 34.237,
"b": 49.710,
"c": 80.346,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99987],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.273,1.300],
"number_observations": 230177,
"number_observations_unique": 34079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 33.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.300],
"number_observations": 25725,
"number_observations_unique": 4672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [1.450,1.370],
"number_observations": 31423,
"number_observations_unique": 4585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.550,1.450],
"number_observations": 29485,
"number_observations_unique": 4416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [1.680,1.550],
"number_observations": 29429,
"number_observations_unique": 4129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [1.840,1.680],
"number_observations": 26373,
"number_observations_unique": 3797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.060,1.840],
"number_observations": 25486,
"number_observations_unique": 3472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.370,2.060],
"number_observations": 21196,
"number_observations_unique": 3073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 21.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.910,2.370],
"number_observations": 19106,
"number_observations_unique": 2642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 23.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [4.110,2.910],
"number_observations": 13931,
"number_observations_unique": 2066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [40.173,4.110],
"number_observations": 8023,
"number_observations_unique": 1227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 24.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.500
}
]
}
]
}