Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b17ca11055dde6548802e23598f3999",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.032,
"b": 41.443,
"c": 72.703,
"alpha": 90.00,
"beta": 103.86,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.740,1.140],
"number_observations": 305485,
"number_observations_unique": 82863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.740
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.687
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.140],
"number_observations": 41361,
"number_observations_unique": 11827,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.022
},
{
"type": "R(meas)",
"value": 1.202
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 83.800
},
{
"type": "Redundancy",
"value": 3.497
},
{
"type": "CC(1/2)",
"value": 0.493
}
]
},
{
"resolution_limits": [1.300,1.210],
"number_observations": 47166,
"number_observations_unique": 12623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "R(meas)",
"value": 0.798
},
{
"type": "I/SigI",
"value": 1.760
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.737
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [1.400,1.300],
"number_observations": 44245,
"number_observations_unique": 11812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "R(meas)",
"value": 0.457
},
{
"type": "I/SigI",
"value": 3.190
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.746
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [1.530,1.400],
"number_observations": 40697,
"number_observations_unique": 10996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 5.440
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.701
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [1.720,1.530],
"number_observations": 38290,
"number_observations_unique": 9978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.837
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.980,1.720],
"number_observations": 32404,
"number_observations_unique": 8843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 15.450
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.664
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.420,1.980],
"number_observations": 28627,
"number_observations_unique": 7577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 23.470
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.778
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.420,2.420],
"number_observations": 20887,
"number_observations_unique": 5881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 27.530
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.552
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [35.740,3.420],
"number_observations": 11808,
"number_observations_unique": 3326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 31.170
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.550
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}