Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af67d1cc96874a033d78e63d44e91125",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.797,
"b": 88.797,
"c": 39.601,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.400,1.050],
"number_observations": 923100,
"number_observations_unique": 142724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 22.310
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.468
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.050],
"number_observations": 143807,
"number_observations_unique": 22774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "R(meas)",
"value": 0.437
},
{
"type": "I/SigI",
"value": 3.720
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.315
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [1.190,1.120],
"number_observations": 139606,
"number_observations_unique": 21646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 6.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.450
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.290,1.190],
"number_observations": 131060,
"number_observations_unique": 20202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 9.860
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.487
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.410,1.290],
"number_observations": 122947,
"number_observations_unique": 18589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 14.440
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.614
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.580,1.410],
"number_observations": 111136,
"number_observations_unique": 16780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 22.710
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.623
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.820,1.580],
"number_observations": 98237,
"number_observations_unique": 14866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 35.390
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.608
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.230,1.820],
"number_observations": 79272,
"number_observations_unique": 12575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 49.380
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.304
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.150,2.230],
"number_observations": 62308,
"number_observations_unique": 9767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 61.020
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.379
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.400,3.150],
"number_observations": 34727,
"number_observations_unique": 5525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 67.010
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.285
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}