Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b1b37900c4fabe49aacb0d6011f68871",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.09,
"b": 70.99,
"c": 71.92,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.350],
"number_observations_unique": 58794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 97.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.36,1.35],
"number_observations_unique": 1314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "Completeness",
"value": 86.70
}
]
},
{
"resolution_limits": [1.37,1.36],
"number_observations_unique": 1335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "Completeness",
"value": 89.80
}
]
},
{
"resolution_limits": [1.39,1.37],
"number_observations_unique": 1356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "Completeness",
"value": 91.40
}
]
},
{
"resolution_limits": [1.40,1.39],
"number_observations_unique": 1427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "Completeness",
"value": 95.10
}
]
},
{
"resolution_limits": [1.41,1.40],
"number_observations_unique": 1404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "Completeness",
"value": 95.80
}
]
},
{
"resolution_limits": [1.43,1.41],
"number_observations_unique": 1470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "Completeness",
"value": 97.20
}
]
},
{
"resolution_limits": [1.44,1.43],
"number_observations_unique": 1467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "Completeness",
"value": 99.10
}
]
},
{
"resolution_limits": [1.45,1.44],
"number_observations_unique": 1457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "Completeness",
"value": 98.80
}
]
},
{
"resolution_limits": [1.47,1.45],
"number_observations_unique": 1514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [1.49,1.47],
"number_observations_unique": 1488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.50,1.49],
"number_observations_unique": 1508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.52,1.50],
"number_observations_unique": 1476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.54,1.52],
"number_observations_unique": 1484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.56,1.54],
"number_observations_unique": 1524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [1.58,1.56],
"number_observations_unique": 1495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.60,1.58],
"number_observations_unique": 1471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.62,1.60],
"number_observations_unique": 1496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [1.65,1.62],
"number_observations_unique": 1500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.67,1.65],
"number_observations_unique": 1515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [1.70,1.67],
"number_observations_unique": 1490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.73,1.70],
"number_observations_unique": 1508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.76,1.73],
"number_observations_unique": 1489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.80,1.76],
"number_observations_unique": 1488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.83,1.80],
"number_observations_unique": 1543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [1.87,1.83],
"number_observations_unique": 1482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [1.92,1.87],
"number_observations_unique": 1505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [1.96,1.92],
"number_observations_unique": 1506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [2.02,1.96],
"number_observations_unique": 1495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.08,2.02],
"number_observations_unique": 1525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [2.14,2.08],
"number_observations_unique": 1504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.22,2.14],
"number_observations_unique": 1528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.31,2.22],
"number_observations_unique": 1501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [2.41,2.31],
"number_observations_unique": 1528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.50
}
]
},
{
"resolution_limits": [2.54,2.41],
"number_observations_unique": 1523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [2.70,2.54],
"number_observations_unique": 1512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.91,2.70],
"number_observations_unique": 1525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [3.20,2.91],
"number_observations_unique": 1514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "Completeness",
"value": 97.70
}
]
},
{
"resolution_limits": [3.66,3.20],
"number_observations_unique": 1442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 92.40
}
]
},
{
"resolution_limits": [4.62,3.66],
"number_observations_unique": 1273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "Completeness",
"value": 80.80
}
]
},
{
"resolution_limits": [50.00,4.62],
"number_observations_unique": 1212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 71.60
}
]
}
]
}